3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

C13H11NO2S — CID 70978507

IUPAC3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(c1nccs1)CC2
InChIInChI=1S/C13H11NO2S/c15-13(16)9-2-1-8-3-4-10(11(8)7-9)12-14-5-6-17-12/h1-2,5-7,10H,3-4H2,(H,15,16)
InChIKeyUKICWMCVMWVKTO-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.92
Rot. Bonds2

About 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 70978507) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID70978507
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(c1nccs1)CC2
InChIInChI=1S/C13H11NO2S/c15-13(16)9-2-1-8-3-4-10(11(8)7-9)12-14-5-6-17-12/h1-2,5-7,10H,3-4H2,(H,15,16)
InChIKeyUKICWMCVMWVKTO-UHFFFAOYSA-N
XLogP2.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 70978507) is 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(c1nccs1)CC2.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is UKICWMCVMWVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(16)9-2-1-8-3-4-10(11(8)7-9)12-14-5-6-17-12/h1-2,5-7,10H,3-4H2,(H,15,16).
What are the key properties of 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 70978507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).