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

C14H12N6S — CID 170223365

IUPAC2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole
SMILESCc1ccn2ncc(-n3cc(-c4cnc(C)s4)cn3)c2n1
InChIInChI=1S/C14H12N6S/c1-9-3-4-19-14(18-9)12(6-17-19)20-8-11(5-16-20)13-7-15-10(2)21-13/h3-8H,1-2H3
InChIKeyMUAAEWNOGZRATR-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.66
Rot. Bonds2

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

2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole (PubChem CID 170223365) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole
PubChem CID170223365
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole
SMILESCc1ccn2ncc(-n3cc(-c4cnc(C)s4)cn3)c2n1
InChIInChI=1S/C14H12N6S/c1-9-3-4-19-14(18-9)12(6-17-19)20-8-11(5-16-20)13-7-15-10(2)21-13/h3-8H,1-2H3
InChIKeyMUAAEWNOGZRATR-UHFFFAOYSA-N
XLogP2.66
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole (CID 170223365) is 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole is Cc1ccn2ncc(-n3cc(-c4cnc(C)s4)cn3)c2n1.
What is the InChIKey of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole?
The InChIKey is MUAAEWNOGZRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-9-3-4-19-14(18-9)12(6-17-19)20-8-11(5-16-20)13-7-15-10(2)21-13/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole?
2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole has a molecular weight of 296.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 170223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).