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

C19H17ClN2OS — CID 18114414

IUPAC2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-3-5-14(6-4-13)11-22(2)19(23)17-12-24-18(21-17)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeyMPFFEHXIMOQTHB-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.04
Rot. Bonds4

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

2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 18114414) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID18114414
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-3-5-14(6-4-13)11-22(2)19(23)17-12-24-18(21-17)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeyMPFFEHXIMOQTHB-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

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CID 1472630
N-(4-chlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 2744454
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 3734285
N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 50925541
2-[[4-(4-chlorophenyl)phenyl]methyl]-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 155754551
CID 155754687
CID 155754687
2-(4-Chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 1486898
N-allyl-4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzenecarboxamide
CID 3722334
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-methylpiperidine-3-carboxamide
CID 46944091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 18114414) is 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MPFFEHXIMOQTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13-3-5-14(6-4-13)11-22(2)19(23)17-12-24-18(21-17)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-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 2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18114414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).