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

C18H16N2O2S — CID 1472611

IUPAC2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17-20-16(12-23-17)18(21)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyNWAXSOCVFBVESY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.99
Rot. Bonds5

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

2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 1472611) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID1472611
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17-20-16(12-23-17)18(21)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyNWAXSOCVFBVESY-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide (CID 1472611) is 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NWAXSOCVFBVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-17-20-16(12-23-17)18(21)19-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1472611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).