N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C19H17ClN2OS — CID 17496872

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-6-8-15(9-7-13)18-21-17(12-24-18)19(23)22(2)11-14-4-3-5-16(20)10-14/h3-10,12H,11H2,1-2H3
InChIKeyHJYXMCQPXKJPBM-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.04
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 17496872) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID17496872
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-6-8-15(9-7-13)18-21-17(12-24-18)19(23)22(2)11-14-4-3-5-16(20)10-14/h3-10,12H,11H2,1-2H3
InChIKeyHJYXMCQPXKJPBM-UHFFFAOYSA-N
XLogP5.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66377068
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 42866055
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
N-benzyl-2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46066950
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
2-[4-[4-(acetamidomethyl)phenyl]phenyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 167878699
(E)-N-[(3-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-methylprop-2-enamide
CID 17492499

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 17496872) is N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HJYXMCQPXKJPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13-6-8-15(9-7-13)18-21-17(12-24-18)19(23)22(2)11-14-4-3-5-16(20)10-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17496872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).