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

C16H16N6OS — CID 70814538

IUPACN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)cs2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H16N6OS/c1-9(2)12-8-24-15(20-12)14(23)22-16-19-10(3)18-13(21-16)11-6-4-5-7-17-11/h4-9H,1-3H3,(H,18,19,21,22,23)
InChIKeyUQIHBTQZNOSBRJ-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.07
Rot. Bonds4

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

N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 70814538) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID70814538
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)cs2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H16N6OS/c1-9(2)12-8-24-15(20-12)14(23)22-16-19-10(3)18-13(21-16)11-6-4-5-7-17-11/h4-9H,1-3H3,(H,18,19,21,22,23)
InChIKeyUQIHBTQZNOSBRJ-UHFFFAOYSA-N
XLogP3.07
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.07
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
1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrrole-2-carboxamide
CID 70814491
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
4-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 70814440
N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 52517313
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 70814404
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 70814466
6-(benzylamino)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70814398
2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 88993281
4-benzamido-2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
CID 70814351
5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
CID 70814585

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 70814538) is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1nc(NC(=O)c2nc(C(C)C)cs2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is UQIHBTQZNOSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-9(2)12-8-24-15(20-12)14(23)22-16-19-10(3)18-13(21-16)11-6-4-5-7-17-11/h4-9H,1-3H3,(H,18,19,21,22,23).
What are the key properties of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70814538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).