N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide

C12H8Cl2N2O2S — CID 106684980

IUPACN-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2N2O2S/c13-6-1-2-7(11(15)19)8(5-6)16-12(17)9-3-4-10(14)18-9/h1-5H,(H2,15,19)(H,16,17)
InChIKeyHXOBJNGIUAGPDX-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.47
Rot. Bonds3

About N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide

N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide (PubChem CID 106684980) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
PubChem CID106684980
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H8Cl2N2O2S/c13-6-1-2-7(11(15)19)8(5-6)16-12(17)9-3-4-10(14)18-9/h1-5H,(H2,15,19)(H,16,17)
InChIKeyHXOBJNGIUAGPDX-UHFFFAOYSA-N
XLogP3.47
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.47
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-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-(5-bromo-2-carbamothioylphenyl)-4-chloro-2-hydroxybenzamide
CID 107798593
N-(2-carbamothioyl-5-chlorophenyl)-3-methylfuran-2-carboxamide
CID 64917019
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500
3-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 104851591
N-(4-carbamothioylphenyl)-5-chlorofuran-2-carboxamide
CID 106684857
N-(2-carbamothioyl-5-chlorophenyl)-2,2-dimethylbutanamide
CID 64915596
5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81263366
2-[(4-bromophenyl)methylamino]-4-chlorobenzenecarbothioamide
CID 63082341
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide (CID 106684980) is N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide is NC(=S)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide?
The InChIKey is HXOBJNGIUAGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-6-1-2-7(11(15)19)8(5-6)16-12(17)9-3-4-10(14)18-9/h1-5H,(H2,15,19)(H,16,17).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide has a molecular weight of 315.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106684980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).