2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine

C15H18N2S — CID 83969649

IUPAC2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H18N2S/c16-7-6-14-10-18-15(17-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,10H,1-3,6-7,9,16H2
InChIKeyIUCWAFTVPLFXTL-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.72
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 83969649) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID83969649
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H18N2S/c16-7-6-14-10-18-15(17-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,10H,1-3,6-7,9,16H2
InChIKeyIUCWAFTVPLFXTL-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]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-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 83969649) is 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(Cc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is IUCWAFTVPLFXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-7-6-14-10-18-15(17-14)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,10H,1-3,6-7,9,16H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 83969649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).