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

C8H10F3N3S — CID 107304702

IUPACN-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-13-7(15-14-6)12-4-5-2-1-3-5/h5H,1-4H2,(H,12,13,14)
InChIKeyOTNUIBMAGLNFRT-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds3

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

N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304702) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304702
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC NameN-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCC2)n1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)6-13-7(15-14-6)12-4-5-2-1-3-5/h5H,1-4H2,(H,12,13,14)
InChIKeyOTNUIBMAGLNFRT-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-tert-butyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271023
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271025
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-tert-butyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274379
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274435
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436
3-methyl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79040764
3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 79838766
N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79838861
3-cyclopropyl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79839907

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304702) is N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OTNUIBMAGLNFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)6-13-7(15-14-6)12-4-5-2-1-3-5/h5H,1-4H2,(H,12,13,14).
What are the key properties of N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).