N-(phenylcarbamothioyl)thiadiazole-4-carboxamide

C10H8N4OS2 — CID 1475495

IUPACN-(phenylcarbamothioyl)thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1csnn1
InChIInChI=1S/C10H8N4OS2/c15-9(8-6-17-14-13-8)12-10(16)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16)
InChIKeyRDTRBMIBTMVFJD-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.66
Rot. Bonds2

About N-(phenylcarbamothioyl)thiadiazole-4-carboxamide

N-(phenylcarbamothioyl)thiadiazole-4-carboxamide (PubChem CID 1475495) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)thiadiazole-4-carboxamide
PubChem CID1475495
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC NameN-(phenylcarbamothioyl)thiadiazole-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1)c1csnn1
InChIInChI=1S/C10H8N4OS2/c15-9(8-6-17-14-13-8)12-10(16)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16)
InChIKeyRDTRBMIBTMVFJD-UHFFFAOYSA-N
XLogP1.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.66
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-(phenylcarbamothioyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(phenylcarbamothioyl)thiadiazole-4-carboxamide (CID 1475495) is N-(phenylcarbamothioyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(phenylcarbamothioyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(phenylcarbamothioyl)thiadiazole-4-carboxamide is O=C(NC(=S)Nc1ccccc1)c1csnn1.
What is the InChIKey of N-(phenylcarbamothioyl)thiadiazole-4-carboxamide?
The InChIKey is RDTRBMIBTMVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c15-9(8-6-17-14-13-8)12-10(16)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16).
What are the key properties of N-(phenylcarbamothioyl)thiadiazole-4-carboxamide?
N-(phenylcarbamothioyl)thiadiazole-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 1475495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).