4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide

C19H17ClN2OS — CID 90547060

IUPAC4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2OS/c1-12-5-3-4-6-16(12)19-22-13(2)17(24-19)11-21-18(23)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyBFPASEWRCIKMLK-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.01
Rot. Bonds4

About 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide

4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide (PubChem CID 90547060) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
PubChem CID90547060
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2OS/c1-12-5-3-4-6-16(12)19-22-13(2)17(24-19)11-21-18(23)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyBFPASEWRCIKMLK-UHFFFAOYSA-N
XLogP5.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-phenoxybenzamide
CID 90547190
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3-nitrobenzamide
CID 90547168
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71795481
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547317
1-(3-chloro-2-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547311
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide (CID 90547060) is 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide is Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
The InChIKey is BFPASEWRCIKMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-12-5-3-4-6-16(12)19-22-13(2)17(24-19)11-21-18(23)14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide?
4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide has a molecular weight of 356.88 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 90547060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).