N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C7H8F3N3S — CID 106210983

IUPACN-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2csnn2)CC1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)11-3-5-4-14-13-12-5/h4,11H,1-3H2
InChIKeyKLEITZCDOCTPRR-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.72
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210983) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210983
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC NameN-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCc2csnn2)CC1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)11-3-5-4-14-13-12-5/h4,11H,1-3H2
InChIKeyKLEITZCDOCTPRR-UHFFFAOYSA-N
XLogP1.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210983) is N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCc2csnn2)CC1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is KLEITZCDOCTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)11-3-5-4-14-13-12-5/h4,11H,1-3H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 223.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).