4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole

C17H12N6S — CID 58416164

IUPAC4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1cccc(-c2nccnn2)n1
InChIInChI=1S/C17H12N6S/c1-11-15(24-17(21-11)12-4-3-7-18-10-12)13-5-2-6-14(22-13)16-19-8-9-20-23-16/h2-10H,1H3
InChIKeySPRYACAEGOGBJQ-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.43
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 58416164) has the molecular formula C17H12N6S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID58416164
Molecular FormulaC17H12N6S
Molecular Weight332.39 g/mol
Exact Mass332.08
IUPAC Name4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1cccc(-c2nccnn2)n1
InChIInChI=1S/C17H12N6S/c1-11-15(24-17(21-11)12-4-3-7-18-10-12)13-5-2-6-14(22-13)16-19-8-9-20-23-16/h2-10H,1H3
InChIKeySPRYACAEGOGBJQ-UHFFFAOYSA-N
XLogP3.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole (CID 58416164) is 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1cccc(-c2nccnn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is SPRYACAEGOGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S/c1-11-15(24-17(21-11)12-4-3-7-18-10-12)13-5-2-6-14(22-13)16-19-8-9-20-23-16/h2-10H,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 332.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-5-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 58416164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).