N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide

C12H9IN2O2S — CID 1125144

IUPACN-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1I)c1ccco1
InChIInChI=1S/C12H9IN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18)
InChIKeyMWHPMOXFXJPAJF-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.01
Rot. Bonds2

About N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide

N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 1125144) has the molecular formula C12H9IN2O2S and a molecular weight of 372.19 g/mol. Its IUPAC name is N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
PubChem CID1125144
Molecular FormulaC12H9IN2O2S
Molecular Weight372.19 g/mol
Exact Mass371.94
IUPAC NameN-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1I)c1ccco1
InChIInChI=1S/C12H9IN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18)
InChIKeyMWHPMOXFXJPAJF-UHFFFAOYSA-N
XLogP3.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
N-[(1S)-2,2,2-trichloro-1-[(2-iodophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1380677
N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 1344884
N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17086908
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide (CID 1125144) is N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1I)c1ccco1.
What is the InChIKey of N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is MWHPMOXFXJPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O2S/c13-8-4-1-2-5-9(8)14-12(18)15-11(16)10-6-3-7-17-10/h1-7H,(H2,14,15,16,18).
What are the key properties of N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 372.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 1125144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).