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Acotiamide

CAT: 0013-GTR19202246-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202246-01Size:25 mg
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Description
Acotiamide
CAS Number
185106-16-5
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (NC1=NC (C (NCCN (C (C) C) C (C) C) =O) =CS1) (=O) C2=CC (OC) =C (OC) C=C2O
Molecular Formula
C21H30N4O5S
Molecular Weight
450.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acotiamide

Acotiamide is a member of salicylamides.

CAS Number185106-16-5
PubChem CID5282338
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
Molecular FormulaC21H30N4O5S
Molecular Weight450.6
XLogP3.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C
InChI
InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)
InChIKey
TWHZNAUBXFZMCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acotiamide
CAS: 185106-16-5
CID: 5282338
Formula: C21H30N4O5S
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass450.19369124
Monoisotopic Mass450.19369124
Topological Polar Surface Area141 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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