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

C7H8F3N3S — CID 106214902

IUPAC5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C7H8F3N3S/c1-4-12-13-5(14-4)11-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,13)
InChIKeyQAIHRAYOTOXZPZ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.35
Rot. Bonds2

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

5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine (PubChem CID 106214902) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
PubChem CID106214902
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C7H8F3N3S/c1-4-12-13-5(14-4)11-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,13)
InChIKeyQAIHRAYOTOXZPZ-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine (CID 106214902) is 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QAIHRAYOTOXZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-4-12-13-5(14-4)11-6(2-3-6)7(8,9)10/h2-3H2,1H3,(H,11,13).
What are the key properties of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-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 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106214902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).