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

C8H10ClF2N3S — CID 130771684

IUPAC4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCC(Nc2nsnc2Cl)CC1
InChIInChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-1-3-8(10,11)4-2-5/h5H,1-4H2,(H,12,14)
InChIKeyUIZBUISCUBEPSV-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.18
Rot. Bonds2

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

4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine (PubChem CID 130771684) has the molecular formula C8H10ClF2N3S and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
PubChem CID130771684
Molecular FormulaC8H10ClF2N3S
Molecular Weight253.70 g/mol
Exact Mass253.03
IUPAC Name4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
SMILESFC1(F)CCC(Nc2nsnc2Cl)CC1
InChIInChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-1-3-8(10,11)4-2-5/h5H,1-4H2,(H,12,14)
InChIKeyUIZBUISCUBEPSV-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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Related Compounds

4-chloro-N-cyclobutyl-1,2,5-thiadiazol-3-amine
CID 62414823
4-chloro-N-(2,2-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine
CID 131219180
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine
CID 62316207
4-chloro-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,2,5-thiadiazol-3-amine
CID 131057663
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
6-chloro-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-5-phenylmethoxypyrimidin-4-amine
CID 139300367
4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine
CID 63549782
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 139300624
6-chloro-2-cyclopenta-1,3-dien-1-yl-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 160712949
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
CID 106300603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine (CID 130771684) is 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine is FC1(F)CCC(Nc2nsnc2Cl)CC1.
What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is UIZBUISCUBEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3S/c9-6-7(14-15-13-6)12-5-1-3-8(10,11)4-2-5/h5H,1-4H2,(H,12,14).
What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(4,4-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-(4,4-difluorocyclohexyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 130771684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).