N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide

C23H19N3O2S — CID 24984927

IUPACN-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(-c3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28)
InChIKeyCTBMGYGHXFJGEB-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.20
Rot. Bonds5

About N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 24984927) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID24984927
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(-c3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28)
InChIKeyCTBMGYGHXFJGEB-UHFFFAOYSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide (CID 24984927) is N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(-c3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CTBMGYGHXFJGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-21(22(28)24-15-17-8-4-2-5-9-17)29-23(25-16)26-13-12-19(14-20(26)27)18-10-6-3-7-11-18/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-(2-oxo-4-phenyl-1-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24984927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).