(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C19H15ClN2O3S — CID 27669043

IUPAC(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-11-17(26-18(21-11)13-4-3-5-14(20)10-13)19(24)25-16-8-6-15(7-9-16)22-12(2)23/h3-10H,1-2H3,(H,22,23)
InChIKeyIFPYQLTYQUACKY-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.95
Rot. Bonds4

About (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 27669043) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID27669043
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-11-17(26-18(21-11)13-4-3-5-14(20)10-13)19(24)25-16-8-6-15(7-9-16)22-12(2)23/h3-10H,1-2H3,(H,22,23)
InChIKeyIFPYQLTYQUACKY-UHFFFAOYSA-N
XLogP4.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-acetamidophenyl) 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 75413119
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9064912
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
2-(3-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 27674957
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 27669043) is (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is CC(=O)Nc1ccc(OC(=O)c2sc(-c3cccc(Cl)c3)nc2C)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IFPYQLTYQUACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-11-17(26-18(21-11)13-4-3-5-14(20)10-13)19(24)25-16-8-6-15(7-9-16)22-12(2)23/h3-10H,1-2H3,(H,22,23).
What are the key properties of (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
(4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 386.86 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27669043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).