N-(phenylcarbamothioyl)thiophene-2-carboxamide

C12H10N2OS2 — CID 817333

IUPACN-(phenylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H10N2OS2/c15-11(10-7-4-8-17-10)14-12(16)13-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)
InChIKeyOBQJVYAELQGLJJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.87
Rot. Bonds2

About N-(phenylcarbamothioyl)thiophene-2-carboxamide

N-(phenylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 817333) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)thiophene-2-carboxamide
PubChem CID817333
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC NameN-(phenylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1cccs1
InChIInChI=1S/C12H10N2OS2/c15-11(10-7-4-8-17-10)14-12(16)13-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16)
InChIKeyOBQJVYAELQGLJJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.87
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

N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 18273574
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 739011
N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4508683
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N-[[3-(difluoromethylsulfanyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 3581206
N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 28639659
N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
N-[4-(butanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 823741
N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17099700
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4951604

Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(phenylcarbamothioyl)thiophene-2-carboxamide (CID 817333) is N-(phenylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(phenylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(phenylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1)c1cccs1.
What is the InChIKey of N-(phenylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is OBQJVYAELQGLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c15-11(10-7-4-8-17-10)14-12(16)13-9-5-2-1-3-6-9/h1-8H,(H2,13,14,15,16).
What are the key properties of N-(phenylcarbamothioyl)thiophene-2-carboxamide?
N-(phenylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 817333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).