N-(3-carbamothioylphenyl)thiophene-2-carboxamide

C12H10N2OS2 — CID 24696686

IUPACN-(3-carbamothioylphenyl)thiophene-2-carboxamide
SMILESNC(=S)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H10N2OS2/c13-11(16)8-3-1-4-9(7-8)14-12(15)10-5-2-6-17-10/h1-7H,(H2,13,16)(H,14,15)
InChIKeyNYJAHNCNTNLHIX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.63
Rot. Bonds3

About N-(3-carbamothioylphenyl)thiophene-2-carboxamide

N-(3-carbamothioylphenyl)thiophene-2-carboxamide (PubChem CID 24696686) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)thiophene-2-carboxamide
PubChem CID24696686
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC NameN-(3-carbamothioylphenyl)thiophene-2-carboxamide
SMILESNC(=S)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H10N2OS2/c13-11(16)8-3-1-4-9(7-8)14-12(15)10-5-2-6-17-10/h1-7H,(H2,13,16)(H,14,15)
InChIKeyNYJAHNCNTNLHIX-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
CID 29040184
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 166217861
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
N-(3-carbamothioylphenyl)-4-hydroxybenzamide
CID 24695389
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-carbamothioylphenyl)thiophene-2-carboxamide (CID 24696686) is N-(3-carbamothioylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamothioylphenyl)thiophene-2-carboxamide is NC(=S)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)thiophene-2-carboxamide?
The InChIKey is NYJAHNCNTNLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c13-11(16)8-3-1-4-9(7-8)14-12(15)10-5-2-6-17-10/h1-7H,(H2,13,16)(H,14,15).
What are the key properties of N-(3-carbamothioylphenyl)thiophene-2-carboxamide?
N-(3-carbamothioylphenyl)thiophene-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 24696686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).