4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid

C18H13ClN2O3S — CID 10150386

IUPAC4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C18H13ClN2O3S/c1-21(17(22)12-7-9-13(19)10-8-12)15-14(18(23)24)25-16(20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,24)
InChIKeyKPLNEFGIQDCMEZ-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.44
Rot. Bonds4

About 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid

4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 10150386) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID10150386
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C18H13ClN2O3S/c1-21(17(22)12-7-9-13(19)10-8-12)15-14(18(23)24)25-16(20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,24)
InChIKeyKPLNEFGIQDCMEZ-UHFFFAOYSA-N
XLogP4.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10126129
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 43811421
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
3-[(4-chlorobenzoyl)-(1-fluoropropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid
CID 70974268
4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 131954936
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
4-methyl-2-phenyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55892921
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
methyl 4-[[1-(4-chlorophenyl)ethylideneamino]oxymethyl]-2-phenyl-1,3-thiazole-5-carboxylate
CID 139716660

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid (CID 10150386) is 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid is CN(C(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KPLNEFGIQDCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-21(17(22)12-7-9-13(19)10-8-12)15-14(18(23)24)25-16(20-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,23,24).
What are the key properties of 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 372.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 10150386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).