4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole

C16H12N6S — CID 58416111

IUPAC4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ncccn2)n1
InChIInChI=1S/C16H12N6S/c1-11-16(23-15(20-11)12-4-2-6-17-10-12)22-9-5-13(21-22)14-18-7-3-8-19-14/h2-10H,1H3
InChIKeyCGVRKCPRMAEHHO-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.16
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole

4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole (PubChem CID 58416111) has the molecular formula C16H12N6S and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
PubChem CID58416111
Molecular FormulaC16H12N6S
Molecular Weight320.38 g/mol
Exact Mass320.08
IUPAC Name4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-n1ccc(-c2ncccn2)n1
InChIInChI=1S/C16H12N6S/c1-11-16(23-15(20-11)12-4-2-6-17-10-12)22-9-5-13(21-22)14-18-7-3-8-19-14/h2-10H,1H3
InChIKeyCGVRKCPRMAEHHO-UHFFFAOYSA-N
XLogP3.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.16
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-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole (CID 58416111) is 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-n1ccc(-c2ncccn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is CGVRKCPRMAEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6S/c1-11-16(23-15(20-11)12-4-2-6-17-10-12)22-9-5-13(21-22)14-18-7-3-8-19-14/h2-10H,1H3.
What are the key properties of 4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole?
4-methyl-2-pyridin-3-yl-5-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 320.38 g/mol, XLogP of 3.16, 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-(3-pyrimidin-2-ylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 58416111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).