(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine

C9H7F2N3S — CID 105150754

IUPAC(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cccc(F)c1F
InChIInChI=1S/C9H7F2N3S/c10-6-3-1-2-5(8(6)11)9(12)7-4-15-14-13-7/h1-4,9H,12H2
InChIKeyWMSXSKJSHWHEBS-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.86
Rot. Bonds2

About (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine

(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine (PubChem CID 105150754) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
PubChem CID105150754
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine
SMILESNC(c1csnn1)c1cccc(F)c1F
InChIInChI=1S/C9H7F2N3S/c10-6-3-1-2-5(8(6)11)9(12)7-4-15-14-13-7/h1-4,9H,12H2
InChIKeyWMSXSKJSHWHEBS-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

thiadiazol-4-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146431
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
1-(2,6-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105149290
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
1-benzothiophen-3-yl-(2,3-difluorophenyl)methanamine
CID 55101865
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine (CID 105150754) is (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine is NC(c1csnn1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine?
The InChIKey is WMSXSKJSHWHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-6-3-1-2-5(8(6)11)9(12)7-4-15-14-13-7/h1-4,9H,12H2.
What are the key properties of (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine?
(2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine has a molecular weight of 227.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105150754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).