5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H15N7S — CID 56907735

IUPAC5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2cn3nc(C)sc3n2)n2nccc2n1
InChIInChI=1S/C14H15N7S/c1-9-7-13(21-12(17-9)4-6-16-21)15-5-3-11-8-20-14(18-11)22-10(2)19-20/h4,6-8,15H,3,5H2,1-2H3
InChIKeySLRDDUQOWTYAQC-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.10
Rot. Bonds4

About 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56907735) has the molecular formula C14H15N7S and a molecular weight of 313.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56907735
Molecular FormulaC14H15N7S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCc2cn3nc(C)sc3n2)n2nccc2n1
InChIInChI=1S/C14H15N7S/c1-9-7-13(21-12(17-9)4-6-16-21)15-5-3-11-8-20-14(18-11)22-10(2)19-20/h4,6-8,15H,3,5H2,1-2H3
InChIKeySLRDDUQOWTYAQC-UHFFFAOYSA-N
XLogP2.10
TPSA72.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56907735) is 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCc2cn3nc(C)sc3n2)n2nccc2n1.
What is the InChIKey of 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SLRDDUQOWTYAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7S/c1-9-7-13(21-12(17-9)4-6-16-21)15-5-3-11-8-20-14(18-11)22-10(2)19-20/h4,6-8,15H,3,5H2,1-2H3.
What are the key properties of 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56907735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).