4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide

C13H14ClN3O3S — CID 91358336

IUPAC4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Cl)c(Nc2nc(O)cs2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-20-5-4-15-12(19)8-2-3-9(14)10(6-8)16-13-17-11(18)7-21-13/h2-3,6-7,18H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyWGZIRRWHPSXXEI-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.62
Rot. Bonds6

About 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide

4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide (PubChem CID 91358336) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide
PubChem CID91358336
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Cl)c(Nc2nc(O)cs2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-20-5-4-15-12(19)8-2-3-9(14)10(6-8)16-13-17-11(18)7-21-13/h2-3,6-7,18H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyWGZIRRWHPSXXEI-UHFFFAOYSA-N
XLogP2.62
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide
CID 110006657
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
2-chloro-N-(2-methoxyethyl)-1,3-benzoxazole-5-carboxamide
CID 100786779
methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-[(3-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46113565
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-chloro-3-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 107990784
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165073
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide (CID 91358336) is 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Cl)c(Nc2nc(O)cs2)c1.
What is the InChIKey of 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is WGZIRRWHPSXXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-20-5-4-15-12(19)8-2-3-9(14)10(6-8)16-13-17-11(18)7-21-13/h2-3,6-7,18H,4-5H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide?
4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 327.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 91358336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).