2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H16N4OS2 — CID 31156594

IUPAC2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)cs2)cc1
InChIInChI=1S/C20H16N4OS2/c1-12-6-8-14(9-7-12)19-23-16(11-26-19)18(25)24-20-22-13(2)17(27-20)15-5-3-4-10-21-15/h3-11H,1-2H3,(H,22,24,25)
InChIKeyXYFMSVJPHUFGMF-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.20
Rot. Bonds4

About 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 31156594) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID31156594
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC Name2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)cs2)cc1
InChIInChI=1S/C20H16N4OS2/c1-12-6-8-14(9-7-12)19-23-16(11-26-19)18(25)24-20-22-13(2)17(27-20)15-5-3-4-10-21-15/h3-11H,1-2H3,(H,22,24,25)
InChIKeyXYFMSVJPHUFGMF-UHFFFAOYSA-N
XLogP5.20
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
5-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 31153107
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18276009
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18229691

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 31156594) is 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XYFMSVJPHUFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c1-12-6-8-14(9-7-12)19-23-16(11-26-19)18(25)24-20-22-13(2)17(27-20)15-5-3-4-10-21-15/h3-11H,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 31156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).