4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C8H12FN3S — CID 146382229

IUPAC4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(c2nncs2)CC1
InChIInChI=1S/C8H12FN3S/c9-8(7-12-11-5-13-7)3-1-6(10)2-4-8/h5-6H,1-4,10H2
InChIKeyUFOGJGKKMGXLIL-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.60
Rot. Bonds1

About 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 146382229) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID146382229
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(c2nncs2)CC1
InChIInChI=1S/C8H12FN3S/c9-8(7-12-11-5-13-7)3-1-6(10)2-4-8/h5-6H,1-4,10H2
InChIKeyUFOGJGKKMGXLIL-UHFFFAOYSA-N
XLogP1.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
CID 146389300
4-(1,3,4-Thiadiazol-2-yl)cyclohexan-1-amine
CID 89089331
4-(1,3,4-Thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
CID 138703987
4-Fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine;hydrochloride
CID 146382228
4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine;hydrochloride
CID 146423199
N-methyl-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 175819755
4-Methyl-1-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
CID 130545625

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 146382229) is 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is NC1CCC(F)(c2nncs2)CC1.
What is the InChIKey of 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is UFOGJGKKMGXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c9-8(7-12-11-5-13-7)3-1-6(10)2-4-8/h5-6H,1-4,10H2.
What are the key properties of 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 146382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).