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

C13H12ClFN2S — CID 81154464

IUPAC(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H12ClFN2S/c14-8-6-7(4-5-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyGCVZXJAHHKALCW-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.47
Rot. Bonds2

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

(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 81154464) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
PubChem CID81154464
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H12ClFN2S/c14-8-6-7(4-5-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyGCVZXJAHHKALCW-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-fluorophenyl)-(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 (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (CID 81154464) is (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is NC(c1ccc(F)c(Cl)c1)c1nc2c(s1)CCC2.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is GCVZXJAHHKALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c14-8-6-7(4-5-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2.
What are the key properties of (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 282.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 81154464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).