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

C19H16ClN3O2S — CID 9094369

IUPAC4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-17(13-3-7-15(20)8-4-13)22-19(26-11)23-18(25)14-5-9-16(10-6-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyAKGSNPZHMCWQBX-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.98
Rot. Bonds4

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

4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 9094369) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID9094369
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-17(13-3-7-15(20)8-4-13)22-19(26-11)23-18(25)14-5-9-16(10-6-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyAKGSNPZHMCWQBX-UHFFFAOYSA-N
XLogP4.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 19195269
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
5-acetamido-2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 60564511
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 9094369) is 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is AKGSNPZHMCWQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-17(13-3-7-15(20)8-4-13)22-19(26-11)23-18(25)14-5-9-16(10-6-14)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 9094369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).