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

C17H14N6S — CID 58416032

IUPAC4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(Cc2ncccn2)n1
InChIInChI=1S/C17H14N6S/c1-12-16(24-17(21-12)13-4-2-6-18-10-13)14-5-9-23(22-14)11-15-19-7-3-8-20-15/h2-10H,11H2,1H3
InChIKeyYHLZASUJSXNEFR-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.22
Rot. Bonds4

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

4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 58416032) has the molecular formula C17H14N6S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID58416032
Molecular FormulaC17H14N6S
Molecular Weight334.41 g/mol
Exact Mass334.10
IUPAC Name4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccn(Cc2ncccn2)n1
InChIInChI=1S/C17H14N6S/c1-12-16(24-17(21-12)13-4-2-6-18-10-13)14-5-9-23(22-14)11-15-19-7-3-8-20-15/h2-10H,11H2,1H3
InChIKeyYHLZASUJSXNEFR-UHFFFAOYSA-N
XLogP3.22
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.22
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-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (CID 58416032) is 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccn(Cc2ncccn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is YHLZASUJSXNEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S/c1-12-16(24-17(21-12)13-4-2-6-18-10-13)14-5-9-23(22-14)11-15-19-7-3-8-20-15/h2-10H,11H2,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 334.41 g/mol, XLogP of 3.22, 4 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-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 58416032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).