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

C15H18N2S — CID 54980150

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2nc3c(s2)CCC3)c1C
InChIInChI=1S/C15H18N2S/c1-9-5-3-6-11(10(9)2)14(16)15-17-12-7-4-8-13(12)18-15/h3,5-6,14H,4,7-8,16H2,1-2H3
InChIKeyXDLCDEYDYXAAJJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.30
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine (PubChem CID 54980150) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine
PubChem CID54980150
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2nc3c(s2)CCC3)c1C
InChIInChI=1S/C15H18N2S/c1-9-5-3-6-11(10(9)2)14(16)15-17-12-7-4-8-13(12)18-15/h3,5-6,14H,4,7-8,16H2,1-2H3
InChIKeyXDLCDEYDYXAAJJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine (CID 54980150) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2nc3c(s2)CCC3)c1C.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine?
The InChIKey is XDLCDEYDYXAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-9-5-3-6-11(10(9)2)14(16)15-17-12-7-4-8-13(12)18-15/h3,5-6,14H,4,7-8,16H2,1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine has a molecular weight of 258.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 54980150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).