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

C6H6F3N3S — CID 67544203

IUPAC5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2(C(F)(F)F)CC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)3-11-12-4(10)13-3/h1-2H2,(H2,10,12)
InChIKeyAMHUABXWQISYMP-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.71
Rot. Bonds1

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

5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine (PubChem CID 67544203) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
PubChem CID67544203
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(C2(C(F)(F)F)CC2)s1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)3-11-12-4(10)13-3/h1-2H2,(H2,10,12)
InChIKeyAMHUABXWQISYMP-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine (CID 67544203) is 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(C2(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AMHUABXWQISYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)5(1-2-5)3-11-12-4(10)13-3/h1-2H2,(H2,10,12).
What are the key properties of 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine?
5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 209.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67544203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).