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

C18H16N6S — CID 58416106

IUPAC5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2cc(C)n(C)n2)n1
InChIInChI=1S/C18H16N6S/c1-11-9-15(23-24(11)3)17-20-8-6-14(22-17)16-12(2)21-18(25-16)13-5-4-7-19-10-13/h4-10H,1-3H3
InChIKeyKKKGAMZBYUYPAD-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.68
Rot. Bonds3

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

5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416106) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416106
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2cc(C)n(C)n2)n1
InChIInChI=1S/C18H16N6S/c1-11-9-15(23-24(11)3)17-20-8-6-14(22-17)16-12(2)21-18(25-16)13-5-4-7-19-10-13/h4-10H,1-3H3
InChIKeyKKKGAMZBYUYPAD-UHFFFAOYSA-N
XLogP3.68
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416106) is 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccnc(-c2cc(C)n(C)n2)n1.
What is the InChIKey of 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is KKKGAMZBYUYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-11-9-15(23-24(11)3)17-20-8-6-14(22-17)16-12(2)21-18(25-16)13-5-4-7-19-10-13/h4-10H,1-3H3.
What are the key properties of 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 348.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).