5-(1H-inden-1-ylmethyl)-1,3-thiazole

C13H11NS — CID 42628292

IUPAC5-(1H-inden-1-ylmethyl)-1,3-thiazole
SMILESC1=CC(Cc2cncs2)c2ccccc21
InChIInChI=1S/C13H11NS/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-6,8-9,11H,7H2
InChIKeyHSDVYTNJRRSDRH-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.50
Rot. Bonds2

About 5-(1H-inden-1-ylmethyl)-1,3-thiazole

5-(1H-inden-1-ylmethyl)-1,3-thiazole (PubChem CID 42628292) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-(1H-inden-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-inden-1-ylmethyl)-1,3-thiazole
PubChem CID42628292
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name5-(1H-inden-1-ylmethyl)-1,3-thiazole
SMILESC1=CC(Cc2cncs2)c2ccccc21
InChIInChI=1S/C13H11NS/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-6,8-9,11H,7H2
InChIKeyHSDVYTNJRRSDRH-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1H-inden-1-ylmethyl)-1,3-thiazole 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 5-(1H-inden-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1H-inden-1-ylmethyl)-1,3-thiazole (CID 42628292) is 5-(1H-inden-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-inden-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1H-inden-1-ylmethyl)-1,3-thiazole is C1=CC(Cc2cncs2)c2ccccc21.
What is the InChIKey of 5-(1H-inden-1-ylmethyl)-1,3-thiazole?
The InChIKey is HSDVYTNJRRSDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-2-4-13-10(3-1)5-6-11(13)7-12-8-14-9-15-12/h1-6,8-9,11H,7H2.
What are the key properties of 5-(1H-inden-1-ylmethyl)-1,3-thiazole?
5-(1H-inden-1-ylmethyl)-1,3-thiazole has a molecular weight of 213.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-inden-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 42628292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).