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

C16H12N6S — CID 58416173

IUPAC2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESc1cnc(Cn2ccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C16H12N6S/c1-3-12(9-17-5-1)16-20-10-14(23-16)13-4-8-22(21-13)11-15-18-6-2-7-19-15/h1-10H,11H2
InChIKeyARGDHVWPFWUIOF-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.91
Rot. Bonds4

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

2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 58416173) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID58416173
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
SMILESc1cnc(Cn2ccc(-c3cnc(-c4cccnc4)s3)n2)nc1
InChIInChI=1S/C16H12N6S/c1-3-12(9-17-5-1)16-20-10-14(23-16)13-4-8-22(21-13)11-15-18-6-2-7-19-15/h1-10H,11H2
InChIKeyARGDHVWPFWUIOF-UHFFFAOYSA-N
XLogP2.91
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole (CID 58416173) is 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is c1cnc(Cn2ccc(-c3cnc(-c4cccnc4)s3)n2)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is ARGDHVWPFWUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-3-12(9-17-5-1)16-20-10-14(23-16)13-4-8-22(21-13)11-15-18-6-2-7-19-15/h1-10H,11H2.
What are the key properties of 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole?
2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 320.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[1-(pyrimidin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 58416173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).