4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile

C15H9N3O2S2 — CID 10595010

IUPAC4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile
SMILESN#Cc1c(S)sc(C(=O)c2ccc(O)c3ncccc23)c1N
InChIInChI=1S/C15H9N3O2S2/c16-6-9-11(17)14(22-15(9)21)13(20)8-3-4-10(19)12-7(8)2-1-5-18-12/h1-5,19,21H,17H2
InChIKeyBMIFSCLBQMRLMY-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.98
Rot. Bonds2

About 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile

4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile (PubChem CID 10595010) has the molecular formula C15H9N3O2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile
PubChem CID10595010
Molecular FormulaC15H9N3O2S2
Molecular Weight327.39 g/mol
Exact Mass327.01
IUPAC Name4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile
SMILESN#Cc1c(S)sc(C(=O)c2ccc(O)c3ncccc23)c1N
InChIInChI=1S/C15H9N3O2S2/c16-6-9-11(17)14(22-15(9)21)13(20)8-3-4-10(19)12-7(8)2-1-5-18-12/h1-5,19,21H,17H2
InChIKeyBMIFSCLBQMRLMY-UHFFFAOYSA-N
XLogP2.98
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile (CID 10595010) is 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile is N#Cc1c(S)sc(C(=O)c2ccc(O)c3ncccc23)c1N.
What is the InChIKey of 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile?
The InChIKey is BMIFSCLBQMRLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S2/c16-6-9-11(17)14(22-15(9)21)13(20)8-3-4-10(19)12-7(8)2-1-5-18-12/h1-5,19,21H,17H2.
What are the key properties of 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile?
4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(8-hydroxyquinoline-5-carbonyl)-2-sulfanylthiophene-3-carbonitrile is sourced from PubChem (CID 10595010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).