4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide

C17H14ClN3OS — CID 46880291

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-19-16(22)12-4-8-14(9-5-12)20-17-21-15(10-23-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyGUNNWTLARAIKMT-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.57
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide (PubChem CID 46880291) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
PubChem CID46880291
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-19-16(22)12-4-8-14(9-5-12)20-17-21-15(10-23-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyGUNNWTLARAIKMT-UHFFFAOYSA-N
XLogP4.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide 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

1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 3143378
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 126048114
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
4-[[4-[4-[(4-chlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 1111396
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide (CID 46880291) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
The InChIKey is GUNNWTLARAIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-19-16(22)12-4-8-14(9-5-12)20-17-21-15(10-23-17)11-2-6-13(18)7-3-11/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide has a molecular weight of 343.84 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 46880291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).