[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

C19H14ClNO3S — CID 8617882

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C19H14ClNO3S/c1-12-21-17(13-7-3-2-4-8-13)18(25-12)19(23)24-11-16(22)14-9-5-6-10-15(14)20/h2-10H,11H2,1H3
InChIKeyKIIPJSXQYUSRLW-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.81
Rot. Bonds5

About [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 8617882) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID8617882
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C19H14ClNO3S/c1-12-21-17(13-7-3-2-4-8-13)18(25-12)19(23)24-11-16(22)14-9-5-6-10-15(14)20/h2-10H,11H2,1H3
InChIKeyKIIPJSXQYUSRLW-UHFFFAOYSA-N
XLogP4.81
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617500
[2-oxo-2-(propylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617909
[2-(3-chloroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617453
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
[2-(2,6-diethylanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617601
[2-(2-fluoroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617683
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617430
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617698
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617753
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 9478731
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617484
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618474

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (CID 8617882) is [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)c2ccccc2Cl)s1.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is KIIPJSXQYUSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-12-21-17(13-7-3-2-4-8-13)18(25-12)19(23)24-11-16(22)14-9-5-6-10-15(14)20/h2-10H,11H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 371.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8617882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).