WAY 181187 50mg

CAT: 0628-A14163-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A14163-50Size:50 mg

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CAS Number

554403-49-5

Chemical Information

1-((6-Chloroimidazo(2,1-b)thiazol-5-yl)sulfonyl)-1H-indole-3-ethanamine

CAS Number	554403-49-5
PubChem CID	10150497
IUPAC Name	2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylindol-3-yl]ethanamine
Molecular Formula	C15H13ClN4O2S2
Molecular Weight	380.9
XLogP	3.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	572

SMILES

C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=C(N=C4N3C=CS4)Cl)CCN

InChI

InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2

InChIKey

RYBOXBBYCVOYNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 554403-49-5

CID: 10150497

Formula: C15H13ClN4O2S2

MW: 380.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.9
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	380.0168457
Monoisotopic Mass	380.0168457
Topological Polar Surface Area	119 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	572
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes