N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C12H14F3N5S — CID 133492214

IUPACN-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CCCCC2n2cccn2)s1
InChIInChI=1S/C12H14F3N5S/c13-12(14,15)10-18-19-11(21-10)17-8-4-1-2-5-9(8)20-7-3-6-16-20/h3,6-9H,1-2,4-5H2,(H,17,19)
InChIKeyNTCHWIYIFSJEID-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.35
Rot. Bonds3

About N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133492214) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133492214
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC NameN-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CCCCC2n2cccn2)s1
InChIInChI=1S/C12H14F3N5S/c13-12(14,15)10-18-19-11(21-10)17-8-4-1-2-5-9(8)20-7-3-6-16-20/h3,6-9H,1-2,4-5H2,(H,17,19)
InChIKeyNTCHWIYIFSJEID-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133492214) is N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CCCCC2n2cccn2)s1.
What is the InChIKey of N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NTCHWIYIFSJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c13-12(14,15)10-18-19-11(21-10)17-8-4-1-2-5-9(8)20-7-3-6-16-20/h3,6-9H,1-2,4-5H2,(H,17,19).
What are the key properties of N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 317.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylcyclohexyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133492214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).