3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine

C8H13N3S — CID 65401062

IUPAC3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(c2nsc(N)n2)C1
InChIInChI=1S/C8H13N3S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyNAQPHCRCXAUBQT-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.02
Rot. Bonds1

About 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine

3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65401062) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine
PubChem CID65401062
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(c2nsc(N)n2)C1
InChIInChI=1S/C8H13N3S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyNAQPHCRCXAUBQT-UHFFFAOYSA-N
XLogP2.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine (CID 65401062) is 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine is CC1CCC(c2nsc(N)n2)C1.
What is the InChIKey of 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NAQPHCRCXAUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-2-3-6(4-5)7-10-8(9)12-11-7/h5-6H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine?
3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclopentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65401062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).