4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole

C16H13N7S — CID 58416137

IUPAC4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(Cn2cncn2)n1
InChIInChI=1S/C16H13N7S/c1-11-15(24-16(21-11)12-3-2-5-17-7-12)13-4-6-19-14(22-13)8-23-10-18-9-20-23/h2-7,9-10H,8H2,1H3
InChIKeyOUDZOOSBGZZUEV-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.61
Rot. Bonds4

About 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (PubChem CID 58416137) has the molecular formula C16H13N7S and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
PubChem CID58416137
Molecular FormulaC16H13N7S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(Cn2cncn2)n1
InChIInChI=1S/C16H13N7S/c1-11-15(24-16(21-11)12-3-2-5-17-7-12)13-4-6-19-14(22-13)8-23-10-18-9-20-23/h2-7,9-10H,8H2,1H3
InChIKeyOUDZOOSBGZZUEV-UHFFFAOYSA-N
XLogP2.61
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole (CID 58416137) is 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccnc(Cn2cncn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is OUDZOOSBGZZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7S/c1-11-15(24-16(21-11)12-3-2-5-17-7-12)13-4-6-19-14(22-13)8-23-10-18-9-20-23/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 335.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 58416137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).