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

C7H8F3N3S — CID 106214889

IUPAC3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H8F3N3S/c1-4-11-5(14-13-4)12-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,12,13)
InChIKeyHJWJAKCEUARFPU-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.35
Rot. Bonds2

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

3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (PubChem CID 106214889) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
PubChem CID106214889
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C7H8F3N3S/c1-4-11-5(14-13-4)12-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,12,13)
InChIKeyHJWJAKCEUARFPU-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268842
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269174
3-ethyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274437
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-ethyl-1,2,4-thiadiazol-5-amine
CID 79838767
N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79838861
N-tert-butyl-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964698

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine (CID 106214889) is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HJWJAKCEUARFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-4-11-5(14-13-4)12-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 223.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106214889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).