2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid

C14H11N3O2S — CID 29063446

IUPAC2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1cccc2ncccc12
InChIInChI=1S/C14H11N3O2S/c18-13(19)9-20-14-16-7-8-17(14)12-5-1-4-11-10(12)3-2-6-15-11/h1-8H,9H2,(H,18,19)
InChIKeyXMHKGIXCVUMHSO-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.60
Rot. Bonds4

About 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid

2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid (PubChem CID 29063446) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid
PubChem CID29063446
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nccn1-c1cccc2ncccc12
InChIInChI=1S/C14H11N3O2S/c18-13(19)9-20-14-16-7-8-17(14)12-5-1-4-11-10(12)3-2-6-15-11/h1-8H,9H2,(H,18,19)
InChIKeyXMHKGIXCVUMHSO-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chloroquinolin-8-yl)imidazol-2-yl]sulfanylacetic acid
CID 116785050
2-[(5-methyl-4-quinolin-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 29074546
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 43040259
2-[1-(5-chloro-2-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 43438544
2-[1-(2-chloro-4-iodophenyl)imidazol-2-yl]sulfanylacetic acid
CID 107607136
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(2-bromo-5-chlorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 81279832
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
2-[(4-methyl-5-quinolin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 53414628
2-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
CID 62876224
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298

Frequently Asked Questions

What is the IUPAC name of 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid (CID 29063446) is 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nccn1-c1cccc2ncccc12.
What is the InChIKey of 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid?
The InChIKey is XMHKGIXCVUMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(19)9-20-14-16-7-8-17(14)12-5-1-4-11-10(12)3-2-6-15-11/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid?
2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid has a molecular weight of 285.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 29063446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).