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

C13H12N2O2S — CID 64630485

IUPAC5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-4-8-2-1-3-9(8)6-10/h4-7,15H,1-3H2,(H,16,17)
InChIKeyUQXLKEVPUIEOOC-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.07
Rot. Bonds3

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

5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630485) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630485
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-4-8-2-1-3-9(8)6-10/h4-7,15H,1-3H2,(H,16,17)
InChIKeyUQXLKEVPUIEOOC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
2-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanoic acid
CID 114988661
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-amine
CID 83152566
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone
CID 104612277
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid (CID 64630485) is 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UQXLKEVPUIEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-13(17)11-12(18-7-14-11)15-10-5-4-8-2-1-3-9(8)6-10/h4-7,15H,1-3H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 3.07, 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-5-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).