2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

C6H9F2N3S — CID 115407090

IUPAC2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCc1nnsc1CNCC(F)F
InChIInChI=1S/C6H9F2N3S/c1-4-5(12-11-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3
InChIKeyKKDPJZMVOVQDMK-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.20
Rot. Bonds4

About 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 115407090) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID115407090
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC Name2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCc1nnsc1CNCC(F)F
InChIInChI=1S/C6H9F2N3S/c1-4-5(12-11-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3
InChIKeyKKDPJZMVOVQDMK-UHFFFAOYSA-N
XLogP1.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]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 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 115407090) is 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is Cc1nnsc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is KKDPJZMVOVQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-4-5(12-11-10-4)2-9-3-6(7)8/h6,9H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 193.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115407090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).