5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid

C14H14N2O4S — CID 117216917

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid
SMILESO=C(O)C1=NS(=O)(=O)C(CN2CCCc3ccccc32)=C1
InChIInChI=1S/C14H14N2O4S/c17-14(18)12-8-11(21(19,20)15-12)9-16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,8H,3,5,7,9H2,(H,17,18)
InChIKeyJIACNYKQOVAMKU-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.19
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid (PubChem CID 117216917) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid
PubChem CID117216917
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid
SMILESO=C(O)C1=NS(=O)(=O)C(CN2CCCc3ccccc32)=C1
InChIInChI=1S/C14H14N2O4S/c17-14(18)12-8-11(21(19,20)15-12)9-16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,8H,3,5,7,9H2,(H,17,18)
InChIKeyJIACNYKQOVAMKU-UHFFFAOYSA-N
XLogP1.19
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid with MolForge

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39160879
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 55054315
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
fluoro 2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 145056467
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051050
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid (CID 117216917) is 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid is O=C(O)C1=NS(=O)(=O)C(CN2CCCc3ccccc32)=C1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
The InChIKey is JIACNYKQOVAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(18)12-8-11(21(19,20)15-12)9-16-7-3-5-10-4-1-2-6-13(10)16/h1-2,4,6,8H,3,5,7,9H2,(H,17,18).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid?
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,1-dioxo-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 117216917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).