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

C8H10ClF2N3S — CID 131219180

IUPAC4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCCCC1Nc1nsnc1Cl
InChIInChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-3-1-2-4-8(5,10)11/h5H,1-4H2,(H,12,14)
InChIKeyOMHOZFJPVGZIJW-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.18
Rot. Bonds2

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

4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine (PubChem CID 131219180) has the molecular formula C8H10ClF2N3S and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
PubChem CID131219180
Molecular FormulaC8H10ClF2N3S
Molecular Weight253.70 g/mol
Exact Mass253.03
IUPAC Name4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCCCC1Nc1nsnc1Cl
InChIInChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-3-1-2-4-8(5,10)11/h5H,1-4H2,(H,12,14)
InChIKeyOMHOZFJPVGZIJW-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.18
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-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine (CID 131219180) is 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine is FC1(F)CCCCC1Nc1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is OMHOZFJPVGZIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-3-1-2-4-8(5,10)11/h5H,1-4H2,(H,12,14).
What are the key properties of 4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 253.70 g/mol, XLogP of 3.18, 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-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 131219180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).