N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

C9H12F3N3S — CID 107648757

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)C1CCCC(Nc2nncs2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h5-7H,1-4H2,(H,14,15)
InChIKeyKCFVBNUUXILFQL-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.07
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine

N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648757) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648757
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)C1CCCC(Nc2nncs2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h5-7H,1-4H2,(H,14,15)
InChIKeyKCFVBNUUXILFQL-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine (CID 107648757) is N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)C1CCCC(Nc2nncs2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KCFVBNUUXILFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h5-7H,1-4H2,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine?
N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).