4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine

C7H10ClN3S — CID 43426994

IUPAC4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCC1
InChIInChI=1S/C7H10ClN3S/c8-6-7(11-12-10-6)9-5-3-1-2-4-5/h5H,1-4H2,(H,9,11)
InChIKeyKYCJFOFQCGTAFR-UHFFFAOYSA-N
MW203.70 g/mol
LogP2.55
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine

4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine (PubChem CID 43426994) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine
PubChem CID43426994
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCCC1
InChIInChI=1S/C7H10ClN3S/c8-6-7(11-12-10-6)9-5-3-1-2-4-5/h5H,1-4H2,(H,9,11)
InChIKeyKYCJFOFQCGTAFR-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine (CID 43426994) is 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine is Clc1nsnc1NC1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine?
The InChIKey is KYCJFOFQCGTAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c8-6-7(11-12-10-6)9-5-3-1-2-4-5/h5H,1-4H2,(H,9,11).
What are the key properties of 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine has a molecular weight of 203.70 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43426994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).