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1H10

CAT: 0926-BH178169-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BH178169-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
641996-85-2
Synonyms
(5Z) -2- (3-Hydroxyanilino) -5- (1Hindol-3-ylmethylidene) -1,3- thiazol-4-one
Smiles
C1=CC=C2C (=C1) C (=CC3=C (N=C (S3) NC4=CC (=CC=C4) O) O) C=N2
Molecular Formula
C18H13N3O2S
Molecular Weight
335.38 g/mol
Controlled
No

Chemical Information

2-(3-Hydroxyanilino)-5-(indol-3-ylidenemethyl)thiazol-4-ol
CAS Number641996-85-2
PubChem CID943186
IUPAC Name2-(3-hydroxyanilino)-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
Molecular FormulaC18H13N3O2S
Molecular Weight335.4
XLogP3.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity512
SMILES
C1=CC=C2C(=C1)C(=CC3=C(N=C(S3)NC4=CC(=CC=C4)O)O)C=N2
InChI
InChI=1S/C18H13N3O2S/c22-13-5-3-4-12(9-13)20-18-21-17(23)16(24-18)8-11-10-19-15-7-2-1-6-14(11)15/h1-10,22-23H,(H,20,21)
InChIKey
FMDYEWBELLHVMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Hydroxyanilino)-5-(indol-3-ylidenemethyl)thiazol-4-ol
CAS: 641996-85-2
CID: 943186
Formula: C18H13N3O2S
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass335.07284784
Monoisotopic Mass335.07284784
Topological Polar Surface Area106 Ų
Heavy Atom Count24
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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