5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid

C13H12N2O2S — CID 107853950

IUPAC5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1Cc2ccccc2C1
InChIInChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,15H,5-6H2,(H,16,17)
InChIKeyDYKFFMCSSWEPDE-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.42
Rot. Bonds3

About 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid

5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 107853950) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID107853950
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NC1Cc2ccccc2C1
InChIInChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,15H,5-6H2,(H,16,17)
InChIKeyDYKFFMCSSWEPDE-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid (CID 107853950) is 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NC1Cc2ccccc2C1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is DYKFFMCSSWEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,15H,5-6H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid?
5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107853950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).