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

C10H14F3N3S — CID 107304706

IUPACN-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)8-15-9(17-16-8)14-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16)
InChIKeyVDYPZKNFAAMXHZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.55
Rot. Bonds3

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

N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304706) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304706
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCCCC2)n1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)8-15-9(17-16-8)14-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16)
InChIKeyVDYPZKNFAAMXHZ-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 91644106
N-[4-[(tert-butylsulfanylamino)methyl]cyclohexyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 89986770
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597
5-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691755
N-[(1-cyclopropylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105665807
N-[(1-propylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701360
N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105757499
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758462
N-(2-ethylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758902
N-(2-propylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105778734
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105807659
N-[(1-methylsulfanylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105825420

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304706) is N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VDYPZKNFAAMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)8-15-9(17-16-8)14-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 265.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).