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

C10H14F3N3S — CID 107304681

IUPACN-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3S/c1-6-4-2-3-5-7(6)14-9-15-8(16-17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyTVSITCBQVMWXOY-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.55
Rot. Bonds2

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

N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304681) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304681
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H14F3N3S/c1-6-4-2-3-5-7(6)14-9-15-8(16-17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyTVSITCBQVMWXOY-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304681) is N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TVSITCBQVMWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6-4-2-3-5-7(6)14-9-15-8(16-17-9)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).