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

C7H8ClF2N3S — CID 130942258

IUPAC4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCCC1Nc1nsnc1Cl
InChIInChI=1S/C7H8ClF2N3S/c8-5-6(13-14-12-5)11-4-2-1-3-7(4,9)10/h4H,1-3H2,(H,11,13)
InChIKeyLPDQALGPDPTYCY-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.79
Rot. Bonds2

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

4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine (PubChem CID 130942258) has the molecular formula C7H8ClF2N3S and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine
PubChem CID130942258
Molecular FormulaC7H8ClF2N3S
Molecular Weight239.68 g/mol
Exact Mass239.01
IUPAC Name4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCCC1Nc1nsnc1Cl
InChIInChI=1S/C7H8ClF2N3S/c8-5-6(13-14-12-5)11-4-2-1-3-7(4,9)10/h4H,1-3H2,(H,11,13)
InChIKeyLPDQALGPDPTYCY-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine (CID 130942258) is 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine is FC1(F)CCCC1Nc1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is LPDQALGPDPTYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3S/c8-5-6(13-14-12-5)11-4-2-1-3-7(4,9)10/h4H,1-3H2,(H,11,13).
What are the key properties of 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 239.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluorocyclopentyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 130942258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).