3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine

C8H12ClN3S — CID 130616983

IUPAC3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
SMILESClc1nsc(NCC2CCCC2)n1
InChIInChI=1S/C8H12ClN3S/c9-7-11-8(13-12-7)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12)
InChIKeyKIJGTRSSBBRXEW-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.79
Rot. Bonds3

About 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine

3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130616983) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID130616983
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
SMILESClc1nsc(NCC2CCCC2)n1
InChIInChI=1S/C8H12ClN3S/c9-7-11-8(13-12-7)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12)
InChIKeyKIJGTRSSBBRXEW-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine (CID 130616983) is 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine is Clc1nsc(NCC2CCCC2)n1.
What is the InChIKey of 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KIJGTRSSBBRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-7-11-8(13-12-7)10-5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12).
What are the key properties of 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine?
3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 217.72 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130616983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).