5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine

C8H11BrFN3S — CID 131114309

IUPAC5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESFC1CCC(Nc2nnc(Br)s2)CC1
InChIInChI=1S/C8H11BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-5(10)2-4-6/h5-6H,1-4H2,(H,11,13)
InChIKeyUPFIMZPACXSVRW-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.99
Rot. Bonds2

About 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine (PubChem CID 131114309) has the molecular formula C8H11BrFN3S and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine
PubChem CID131114309
Molecular FormulaC8H11BrFN3S
Molecular Weight280.17 g/mol
Exact Mass278.98
IUPAC Name5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine
SMILESFC1CCC(Nc2nnc(Br)s2)CC1
InChIInChI=1S/C8H11BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-5(10)2-4-6/h5-6H,1-4H2,(H,11,13)
InChIKeyUPFIMZPACXSVRW-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine (CID 131114309) is 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine is FC1CCC(Nc2nnc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UPFIMZPACXSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-5(10)2-4-6/h5-6H,1-4H2,(H,11,13).
What are the key properties of 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131114309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).