2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid

C13H12N2O2S — CID 62097193

IUPAC2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCN1CCc2cc(-c3nc(C(=O)O)cs3)ccc21
InChIInChI=1S/C13H12N2O2S/c1-15-5-4-8-6-9(2-3-11(8)15)12-14-10(7-18-12)13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyYAEIWACWBXDTNJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.50
Rot. Bonds2

About 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid

2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 62097193) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID62097193
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCN1CCc2cc(-c3nc(C(=O)O)cs3)ccc21
InChIInChI=1S/C13H12N2O2S/c1-15-5-4-8-6-9(2-3-11(8)15)12-14-10(7-18-12)13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyYAEIWACWBXDTNJ-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid (CID 62097193) is 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid is CN1CCc2cc(-c3nc(C(=O)O)cs3)ccc21.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is YAEIWACWBXDTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-15-5-4-8-6-9(2-3-11(8)15)12-14-10(7-18-12)13(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid?
2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 62097193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).