4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide

C20H16N6OS — CID 70814440

IUPAC4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C20H16N6OS/c1-12-16(28-19(22-12)14-8-4-3-5-9-14)18(27)26-20-24-13(2)23-17(25-20)15-10-6-7-11-21-15/h3-11H,1-2H3,(H,23,24,25,26,27)
InChIKeySMTWZJFREOWUTK-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.93
Rot. Bonds4

About 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 70814440) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID70814440
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C20H16N6OS/c1-12-16(28-19(22-12)14-8-4-3-5-9-14)18(27)26-20-24-13(2)23-17(25-20)15-10-6-7-11-21-15/h3-11H,1-2H3,(H,23,24,25,26,27)
InChIKeySMTWZJFREOWUTK-UHFFFAOYSA-N
XLogP3.93
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
CID 70814564
4-methyl-2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164239
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70814398
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-sulfamoylbenzamide
CID 70814294
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 70814424
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251
2-(4-methoxyphenyl)-4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35035442
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 70814440) is 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2sc(-c3ccccc3)nc2C)nc(-c2ccccn2)n1.
What is the InChIKey of 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SMTWZJFREOWUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-12-16(28-19(22-12)14-8-4-3-5-9-14)18(27)26-20-24-13(2)23-17(25-20)15-10-6-7-11-21-15/h3-11H,1-2H3,(H,23,24,25,26,27).
What are the key properties of 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70814440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).