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

C12H18F3N3S — CID 107305076

IUPACN-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H18F3N3S/c1-7(2)8-5-3-4-6-9(8)16-11-17-10(18-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyBHGHTZNLPGXHGS-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.18
Rot. Bonds3

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

N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305076) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305076
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)C1CCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H18F3N3S/c1-7(2)8-5-3-4-6-9(8)16-11-17-10(18-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyBHGHTZNLPGXHGS-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305076) is N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(C)C1CCCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BHGHTZNLPGXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-7(2)8-5-3-4-6-9(8)16-11-17-10(18-19-11)12(13,14)15/h7-9H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 293.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).