5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide

C12H9IN2O2S — CID 86020360

IUPAC5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(I)o1
InChIInChI=1S/C12H9IN2O2S/c13-10-7-6-9(17-10)11(16)15-12(18)14-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,18)
InChIKeyUSIHDRQEVCXMMS-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.01
Rot. Bonds2

About 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide

5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide (PubChem CID 86020360) has the molecular formula C12H9IN2O2S and a molecular weight of 372.19 g/mol. Its IUPAC name is 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide
PubChem CID86020360
Molecular FormulaC12H9IN2O2S
Molecular Weight372.19 g/mol
Exact Mass371.94
IUPAC Name5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1ccc(I)o1
InChIInChI=1S/C12H9IN2O2S/c13-10-7-6-9(17-10)11(16)15-12(18)14-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,18)
InChIKeyUSIHDRQEVCXMMS-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-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
5-(4-chlorophenyl)-N-[[4-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide
CID 17115611
5-[4-(benzoylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91688386
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
5-methyl-N-(phenylcarbamoyl)furan-2-carboxamide
CID 2753284
N-(anilinocarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 3897554
5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 3283056
N-[(4-benzylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 148887016
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-5-bromofuran-2-carboxamide
CID 4994706
5-iodo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 21041804
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide (CID 86020360) is 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1)c1ccc(I)o1.
What is the InChIKey of 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide?
The InChIKey is USIHDRQEVCXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O2S/c13-10-7-6-9(17-10)11(16)15-12(18)14-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,18).
What are the key properties of 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide?
5-iodo-N-(phenylcarbamothioyl)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 5-iodo-N-(phenylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 86020360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).