(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine

C13H12F2N2S — CID 55232526

IUPAC(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1cccc(F)c1F
InChIInChI=1S/C13H12F2N2S/c14-8-4-1-3-7(11(8)15)12(16)13-17-9-5-2-6-10(9)18-13/h1,3-4,12H,2,5-6,16H2
InChIKeyGWHZIYJBXQQONE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.96
Rot. Bonds2

About (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine

(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 55232526) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
PubChem CID55232526
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1nc2c(s1)CCC2)c1cccc(F)c1F
InChIInChI=1S/C13H12F2N2S/c14-8-4-1-3-7(11(8)15)12(16)13-17-9-5-2-6-10(9)18-13/h1,3-4,12H,2,5-6,16H2
InChIKeyGWHZIYJBXQQONE-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (CID 55232526) is (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is NC(c1nc2c(s1)CCC2)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is GWHZIYJBXQQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c14-8-4-1-3-7(11(8)15)12(16)13-17-9-5-2-6-10(9)18-13/h1,3-4,12H,2,5-6,16H2.
What are the key properties of (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
(2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 266.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 55232526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).