N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide

C12H8ClIN2OS2 — CID 1347270

IUPACN-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1Cl)c1cccs1
InChIInChI=1S/C12H8ClIN2OS2/c13-8-6-7(14)3-4-9(8)15-12(18)16-11(17)10-2-1-5-19-10/h1-6H,(H2,15,16,17,18)
InChIKeyZSHKNHIECYYHPY-UHFFFAOYSA-N
MW422.70 g/mol
LogP4.13
Rot. Bonds2

About N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide

N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 1347270) has the molecular formula C12H8ClIN2OS2 and a molecular weight of 422.70 g/mol. Its IUPAC name is N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID1347270
Molecular FormulaC12H8ClIN2OS2
Molecular Weight422.70 g/mol
Exact Mass421.88
IUPAC NameN-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(I)cc1Cl)c1cccs1
InChIInChI=1S/C12H8ClIN2OS2/c13-8-6-7(14)3-4-9(8)15-12(18)16-11(17)10-2-1-5-19-10/h1-6H,(H2,15,16,17,18)
InChIKeyZSHKNHIECYYHPY-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.70
LogP ≤ 54.13
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

2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
4-chloro-3-(thiophene-2-carbonylcarbamothioylamino)benzoate
CID 6953019
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
N-[(5-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4937653
5-bromo-2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 3888641
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1048178
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 978365
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide (CID 1347270) is N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccc(I)cc1Cl)c1cccs1.
What is the InChIKey of N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is ZSHKNHIECYYHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2OS2/c13-8-6-7(14)3-4-9(8)15-12(18)16-11(17)10-2-1-5-19-10/h1-6H,(H2,15,16,17,18).
What are the key properties of N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 422.70 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 1347270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).