4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C24H21N3O2S — CID 46943549

IUPAC4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17-22(23(28)26-15-21-9-5-6-14-25-21)30-24(29)27(17)16-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyAFZKJWHIUXOQDM-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.26
Rot. Bonds6

About 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 46943549) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID46943549
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17-22(23(28)26-15-21-9-5-6-14-25-21)30-24(29)27(17)16-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyAFZKJWHIUXOQDM-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 46943549) is 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2ccccn2)sc(=O)n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AFZKJWHIUXOQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17-22(23(28)26-15-21-9-5-6-14-25-21)30-24(29)27(17)16-18-10-12-20(13-11-18)19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3-[(4-phenylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).