3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine

C13H18F3N3S — CID 91644106

IUPAC3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)C1CCC(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)10-5-1-8(2-6-10)7-17-12-18-11(19-20-12)9-3-4-9/h8-10H,1-7H2,(H,17,18,19)
InChIKeyUNWRLTBTZHUPFC-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.20
Rot. Bonds4

About 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 91644106) has the molecular formula C13H18F3N3S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID91644106
Molecular FormulaC13H18F3N3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC Name3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)C1CCC(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H18F3N3S/c14-13(15,16)10-5-1-8(2-6-10)7-17-12-18-11(19-20-12)9-3-4-9/h8-10H,1-7H2,(H,17,18,19)
InChIKeyUNWRLTBTZHUPFC-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine (CID 91644106) is 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)C1CCC(CNc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is UNWRLTBTZHUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S/c14-13(15,16)10-5-1-8(2-6-10)7-17-12-18-11(19-20-12)9-3-4-9/h8-10H,1-7H2,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 305.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 91644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).