2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

C12H13ClFN3S — CID 103043350

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1csnn1
InChIInChI=1S/C12H13ClFN3S/c1-2-15-11(12-7-18-17-16-12)6-8-3-4-10(14)9(13)5-8/h3-5,7,11,15H,2,6H2,1H3
InChIKeySZAFONOTAKGLIN-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 103043350) has the molecular formula C12H13ClFN3S and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID103043350
Molecular FormulaC12H13ClFN3S
Molecular Weight285.78 g/mol
Exact Mass285.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(Cc1ccc(F)c(Cl)c1)c1csnn1
InChIInChI=1S/C12H13ClFN3S/c1-2-15-11(12-7-18-17-16-12)6-8-3-4-10(14)9(13)5-8/h3-5,7,11,15H,2,6H2,1H3
InChIKeySZAFONOTAKGLIN-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine 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 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (CID 103043350) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is CCNC(Cc1ccc(F)c(Cl)c1)c1csnn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is SZAFONOTAKGLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3S/c1-2-15-11(12-7-18-17-16-12)6-8-3-4-10(14)9(13)5-8/h3-5,7,11,15H,2,6H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 285.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 103043350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).