2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

C12H11NO2S — CID 150324802

IUPAC2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1=C2SCCN2c2ccccc2C1
InChIInChI=1S/C12H11NO2S/c14-12(15)9-7-8-3-1-2-4-10(8)13-5-6-16-11(9)13/h1-4H,5-7H2,(H,14,15)
InChIKeyGOKBNQNLQPLTEI-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.09
Rot. Bonds1

About 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (PubChem CID 150324802) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
PubChem CID150324802
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1=C2SCCN2c2ccccc2C1
InChIInChI=1S/C12H11NO2S/c14-12(15)9-7-8-3-1-2-4-10(8)13-5-6-16-11(9)13/h1-4H,5-7H2,(H,14,15)
InChIKeyGOKBNQNLQPLTEI-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
CID 88506853
1-hydroxy-4H-quinoline-3-carboxylic acid
CID 140989260
4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688286
9H-acridine-10-carbonyl chloride
CID 165358723
3-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 9488494
6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxohexanoic acid
CID 43579785
N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide
CID 134831198
3-[3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 95181357
3-[3-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 71877472
2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethoxy]acetic acid
CID 61328223
3-[5-(2,3-dihydroindol-1-yl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 98019188
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The IUPAC name of 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (CID 150324802) is 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The canonical SMILES for 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is O=C(O)C1=C2SCCN2c2ccccc2C1.
What is the InChIKey of 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The InChIKey is GOKBNQNLQPLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12(15)9-7-8-3-1-2-4-10(8)13-5-6-16-11(9)13/h1-4H,5-7H2,(H,14,15).
What are the key properties of 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 150324802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).