2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C18H15ClN2O2S — CID 1472599

IUPAC2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-8-6-14(7-9-15)20-18(22)16-11-24-17(21-16)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyXIRZEXVHAACPNY-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.65
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 1472599) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID1472599
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-8-6-14(7-9-15)20-18(22)16-11-24-17(21-16)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyXIRZEXVHAACPNY-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 1472599) is 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XIRZEXVHAACPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-15-8-6-14(7-9-15)20-18(22)16-11-24-17(21-16)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).