4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide

C20H18ClN3O2S — CID 30858687

IUPAC4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)cs1
InChIInChI=1S/C20H18ClN3O2S/c1-13-23-18(12-27-13)15-3-2-4-17(11-15)24-19(25)9-10-22-20(26)14-5-7-16(21)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyNTKNUKLQQAGZAQ-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide

4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide (PubChem CID 30858687) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
PubChem CID30858687
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)cs1
InChIInChI=1S/C20H18ClN3O2S/c1-13-23-18(12-27-13)15-3-2-4-17(11-15)24-19(25)9-10-22-20(26)14-5-7-16(21)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyNTKNUKLQQAGZAQ-UHFFFAOYSA-N
XLogP4.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]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-N-[3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]benzamide
CID 55825029
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
4-methyl-3-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896979
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8891121
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 16550158
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide (CID 30858687) is 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide is Cc1nc(-c2cccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)c2)cs1.
What is the InChIKey of 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide?
The InChIKey is NTKNUKLQQAGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13-23-18(12-27-13)15-3-2-4-17(11-15)24-19(25)9-10-22-20(26)14-5-7-16(21)8-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide has a molecular weight of 399.90 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 30858687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).