[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C15H15ClN2O3S — CID 7954868

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C15H15ClN2O3S/c1-9-14(22-10(2)18-9)15(20)21-8-13(19)17-7-11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyCKIXELDIUCTTBH-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.89
Rot. Bonds5

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

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954868) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954868
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C15H15ClN2O3S/c1-9-14(22-10(2)18-9)15(20)21-8-13(19)17-7-11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyCKIXELDIUCTTBH-UHFFFAOYSA-N
XLogP2.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954868) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2Cl)s1.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is CKIXELDIUCTTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9-14(22-10(2)18-9)15(20)21-8-13(19)17-7-11-5-3-4-6-12(11)16/h3-6H,7-8H2,1-2H3,(H,17,19).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 338.82 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).