3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine

C13H13N5S — CID 138045166

IUPAC3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cc2cncn2cc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H13N5S/c1-4-11-6-14-8-18(11)7-9(1)5-15-13-16-12(17-19-13)10-2-3-10/h1,4,6-8,10H,2-3,5H2,(H,15,16,17)
InChIKeyAZMVEBCXGMBQHY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.68
Rot. Bonds4

About 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 138045166) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID138045166
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1cc2cncn2cc1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H13N5S/c1-4-11-6-14-8-18(11)7-9(1)5-15-13-16-12(17-19-13)10-2-3-10/h1,4,6-8,10H,2-3,5H2,(H,15,16,17)
InChIKeyAZMVEBCXGMBQHY-UHFFFAOYSA-N
XLogP2.68
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 138045166) is 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine is c1cc2cncn2cc1CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AZMVEBCXGMBQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-4-11-6-14-8-18(11)7-9(1)5-15-13-16-12(17-19-13)10-2-3-10/h1,4,6-8,10H,2-3,5H2,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 271.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(imidazo[1,5-a]pyridin-6-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 138045166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).