5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C12H14N6S — CID 56899755

IUPAC5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2nnc(C)s2)n2nccc2n1
InChIInChI=1S/C12H14N6S/c1-8-7-11(18-10(15-8)3-6-14-18)13-5-4-12-17-16-9(2)19-12/h3,6-7,13H,4-5H2,1-2H3
InChIKeyFOUNISIDRMYIPH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.85
Rot. Bonds4

About 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56899755) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56899755
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2nnc(C)s2)n2nccc2n1
InChIInChI=1S/C12H14N6S/c1-8-7-11(18-10(15-8)3-6-14-18)13-5-4-12-17-16-9(2)19-12/h3,6-7,13H,4-5H2,1-2H3
InChIKeyFOUNISIDRMYIPH-UHFFFAOYSA-N
XLogP1.85
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56899755) is 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCc2nnc(C)s2)n2nccc2n1.
What is the InChIKey of 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FOUNISIDRMYIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-8-7-11(18-10(15-8)3-6-14-18)13-5-4-12-17-16-9(2)19-12/h3,6-7,13H,4-5H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 274.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56899755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).