N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide

C15H11N3OS2 — CID 803256

IUPACN-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)
InChIKeyXDHSYBVDZZESJO-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.42
Rot. Bonds2

About N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide

N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 803256) has the molecular formula C15H11N3OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide
PubChem CID803256
Molecular FormulaC15H11N3OS2
Molecular Weight313.41 g/mol
Exact Mass313.03
IUPAC NameN-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccs1
InChIInChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)
InChIKeyXDHSYBVDZZESJO-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide 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

N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
N-benzoyl-N'-(8-quinolinyl)thiourea
CID 3567992
N-(quinolin-8-yl)thiophene-2-carboxamide
CID 683655
N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide
CID 736232
N-benzoyl-N'-(3-quinolinyl)thiourea
CID 1480921
5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide
CID 25337367
N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 25343670
N-[(3-pyridinylamino)carbonothioyl]-2-thiophenecarboxamide
CID 2894202
N-(quinolin-5-ylcarbamothioyl)thiophene-2-carboxamide
CID 2963805
2-(5-methylthiophen-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 888063
N-benzoyl-N'-(7-methyl-8-quinolinyl)thiourea
CID 3477730

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide (CID 803256) is N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1.
What is the InChIKey of N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is XDHSYBVDZZESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20).
What are the key properties of N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide?
N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 803256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).