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

C19H17ClN2O2S — CID 1472628

IUPAC2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-24-16-8-4-14(5-9-16)11-21-19(23)17-12-25-18(22-17)10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyLZLJERNWBYCFQV-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.33
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 1472628) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID1472628
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-24-16-8-4-14(5-9-16)11-21-19(23)17-12-25-18(22-17)10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyLZLJERNWBYCFQV-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.33
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)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 1472628) is 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LZLJERNWBYCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-16-8-4-14(5-9-16)11-21-19(23)17-12-25-18(22-17)10-13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.33, 6 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)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).