3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine

C14H19N5S — CID 128850002

IUPAC3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESc1c(Nc2nc(C3CCCC3)ns2)nn2c1CCCC2
InChIInChI=1S/C14H19N5S/c1-2-6-10(5-1)13-16-14(20-18-13)15-12-9-11-7-3-4-8-19(11)17-12/h9-10H,1-8H2,(H,15,16,17,18)
InChIKeyMWMOGJSDCJAZNH-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.47
Rot. Bonds3

About 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine

3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 128850002) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID128850002
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESc1c(Nc2nc(C3CCCC3)ns2)nn2c1CCCC2
InChIInChI=1S/C14H19N5S/c1-2-6-10(5-1)13-16-14(20-18-13)15-12-9-11-7-3-4-8-19(11)17-12/h9-10H,1-8H2,(H,15,16,17,18)
InChIKeyMWMOGJSDCJAZNH-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine (CID 128850002) is 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine is c1c(Nc2nc(C3CCCC3)ns2)nn2c1CCCC2.
What is the InChIKey of 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MWMOGJSDCJAZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-2-6-10(5-1)13-16-14(20-18-13)15-12-9-11-7-3-4-8-19(11)17-12/h9-10H,1-8H2,(H,15,16,17,18).
What are the key properties of 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 289.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 128850002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).