2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide

C16H17ClN2O3S — CID 71710036

IUPAC2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nc(Cl)sc2C(C)C)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-9(2)14-13(19-16(17)23-14)15(21)18-8-12(20)10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyGKQUVNKBGGTUNW-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.54
Rot. Bonds6

About 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide

2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71710036) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID71710036
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nc(Cl)sc2C(C)C)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-9(2)14-13(19-16(17)23-14)15(21)18-8-12(20)10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyGKQUVNKBGGTUNW-UHFFFAOYSA-N
XLogP3.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 71710036) is 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)CNC(=O)c2nc(Cl)sc2C(C)C)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GKQUVNKBGGTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-9(2)14-13(19-16(17)23-14)15(21)18-8-12(20)10-4-6-11(22-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide?
2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71710036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).