N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide

C10H7ClN4OS2 — CID 1475502

IUPACN-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1csnn1
InChIInChI=1S/C10H7ClN4OS2/c11-6-3-1-2-4-7(6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17)
InChIKeyRDWJFFDGBRRSPI-UHFFFAOYSA-N
MW298.78 g/mol
LogP2.32
Rot. Bonds2

About N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide

N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide (PubChem CID 1475502) has the molecular formula C10H7ClN4OS2 and a molecular weight of 298.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide
PubChem CID1475502
Molecular FormulaC10H7ClN4OS2
Molecular Weight298.78 g/mol
Exact Mass297.97
IUPAC NameN-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1csnn1
InChIInChI=1S/C10H7ClN4OS2/c11-6-3-1-2-4-7(6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17)
InChIKeyRDWJFFDGBRRSPI-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide (CID 1475502) is N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide is O=C(NC(=S)Nc1ccccc1Cl)c1csnn1.
What is the InChIKey of N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide?
The InChIKey is RDWJFFDGBRRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS2/c11-6-3-1-2-4-7(6)12-10(17)13-9(16)8-5-18-15-14-8/h1-5H,(H2,12,13,16,17).
What are the key properties of N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide?
N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide has a molecular weight of 298.78 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamothioyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1475502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).