N-(1H-indazol-5-ylcarbamothioyl)benzamide

C15H12N4OS — CID 849675

IUPACN-(1H-indazol-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-6-7-13-11(8-12)9-16-19-13/h1-9H,(H,16,19)(H2,17,18,20,21)
InChIKeyZXVDMWFGCWOTEP-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.69
Rot. Bonds2

About N-(1H-indazol-5-ylcarbamothioyl)benzamide

N-(1H-indazol-5-ylcarbamothioyl)benzamide (PubChem CID 849675) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1H-indazol-5-ylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(1H-indazol-5-ylcarbamothioyl)benzamide
PubChem CID849675
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(1H-indazol-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-6-7-13-11(8-12)9-16-19-13/h1-9H,(H,16,19)(H2,17,18,20,21)
InChIKeyZXVDMWFGCWOTEP-UHFFFAOYSA-N
XLogP2.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1H-indazol-5-ylcarbamothioyl)benzamide?
The IUPAC name of N-(1H-indazol-5-ylcarbamothioyl)benzamide (CID 849675) is N-(1H-indazol-5-ylcarbamothioyl)benzamide.
What is the SMILES notation for N-(1H-indazol-5-ylcarbamothioyl)benzamide?
The canonical SMILES for N-(1H-indazol-5-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccc2[nH]ncc2c1)c1ccccc1.
What is the InChIKey of N-(1H-indazol-5-ylcarbamothioyl)benzamide?
The InChIKey is ZXVDMWFGCWOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-6-7-13-11(8-12)9-16-19-13/h1-9H,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-(1H-indazol-5-ylcarbamothioyl)benzamide?
N-(1H-indazol-5-ylcarbamothioyl)benzamide has a molecular weight of 296.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-ylcarbamothioyl)benzamide is sourced from PubChem (CID 849675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).