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

C15H14N6OS — CID 70814564

IUPAC2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2sc(C)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14N6OS/c1-8-12(23-10(3)17-8)14(22)21-15-19-9(2)18-13(20-15)11-6-4-5-7-16-11/h4-7H,1-3H3,(H,18,19,20,21,22)
InChIKeyXITPGPNOROPEJX-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.57
Rot. Bonds3

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

2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 70814564) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID70814564
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2sc(C)nc2C)nc(-c2ccccn2)n1
InChIInChI=1S/C15H14N6OS/c1-8-12(23-10(3)17-8)14(22)21-15-19-9(2)18-13(20-15)11-6-4-5-7-16-11/h4-7H,1-3H3,(H,18,19,20,21,22)
InChIKeyXITPGPNOROPEJX-UHFFFAOYSA-N
XLogP2.57
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide (CID 70814564) is 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2sc(C)nc2C)nc(-c2ccccn2)n1.
What is the InChIKey of 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is XITPGPNOROPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-8-12(23-10(3)17-8)14(22)21-15-19-9(2)18-13(20-15)11-6-4-5-7-16-11/h4-7H,1-3H3,(H,18,19,20,21,22).
What are the key properties of 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70814564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).