N-(anilinocarbamothioyl)thiophene-2-carboxamide

C12H11N3OS2 — CID 17100252

IUPACN-(anilinocarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NNc1ccccc1)c1cccs1
InChIInChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)13-12(17)15-14-9-5-2-1-3-6-9/h1-8,14H,(H2,13,15,16,17)
InChIKeyFGKRMYJOHFRMFX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.38
Rot. Bonds3

About N-(anilinocarbamothioyl)thiophene-2-carboxamide

N-(anilinocarbamothioyl)thiophene-2-carboxamide (PubChem CID 17100252) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(anilinocarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(anilinocarbamothioyl)thiophene-2-carboxamide
PubChem CID17100252
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC NameN-(anilinocarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NNc1ccccc1)c1cccs1
InChIInChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)13-12(17)15-14-9-5-2-1-3-6-9/h1-8,14H,(H2,13,15,16,17)
InChIKeyFGKRMYJOHFRMFX-UHFFFAOYSA-N
XLogP2.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3322125
N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2224786
N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
CID 3319055
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
N-(anilinocarbamothioyl)-2,4-dimethylbenzamide
CID 961028
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 739011
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533

Frequently Asked Questions

What is the IUPAC name of N-(anilinocarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(anilinocarbamothioyl)thiophene-2-carboxamide (CID 17100252) is N-(anilinocarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(anilinocarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(anilinocarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)NNc1ccccc1)c1cccs1.
What is the InChIKey of N-(anilinocarbamothioyl)thiophene-2-carboxamide?
The InChIKey is FGKRMYJOHFRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c16-11(10-7-4-8-18-10)13-12(17)15-14-9-5-2-1-3-6-9/h1-8,14H,(H2,13,15,16,17).
What are the key properties of N-(anilinocarbamothioyl)thiophene-2-carboxamide?
N-(anilinocarbamothioyl)thiophene-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anilinocarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 17100252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).