N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C9H12F3N3OS — CID 82957135

IUPACN-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCOc1nnc(CNC2CC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)3-4-16-8-15-14-7(17-8)5-13-6-1-2-6/h6,13H,1-5H2
InChIKeyZGLQZQPKXGLSNI-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.12
Rot. Bonds6

About N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 82957135) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID82957135
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC NameN-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCOc1nnc(CNC2CC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)3-4-16-8-15-14-7(17-8)5-13-6-1-2-6/h6,13H,1-5H2
InChIKeyZGLQZQPKXGLSNI-UHFFFAOYSA-N
XLogP2.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine 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-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 82957135) is N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is FC(F)(F)CCOc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ZGLQZQPKXGLSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)3-4-16-8-15-14-7(17-8)5-13-6-1-2-6/h6,13H,1-5H2.
What are the key properties of N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 267.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3,3-trifluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).