N-(1H-indazol-6-ylcarbamothioyl)benzamide

C15H12N4OS — CID 1481180

IUPACN-(1H-indazol-6-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-7-6-11-9-16-19-13(11)8-12/h1-9H,(H,16,19)(H2,17,18,20,21)
InChIKeyBOQDSDCNVCRLFD-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.69
Rot. Bonds2

About N-(1H-indazol-6-ylcarbamothioyl)benzamide

N-(1H-indazol-6-ylcarbamothioyl)benzamide (PubChem CID 1481180) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(1H-indazol-6-ylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-ylcarbamothioyl)benzamide
PubChem CID1481180
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-(1H-indazol-6-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-7-6-11-9-16-19-13(11)8-12/h1-9H,(H,16,19)(H2,17,18,20,21)
InChIKeyBOQDSDCNVCRLFD-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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Related Compounds

N,N'-Di(1H-indazol-6-yl)thiourea
CID 3003797
N-(1H-indazol-5-yl)benzamide
CID 2389948
N-(1H-indazol-6-yl)thiourea
CID 2764168
3-fluoro-N-(1H-indazol-5-yl)benzamide
CID 6466450
4-fluoro-N-(1H-indazol-5-yl)benzamide
CID 17148682
1-(1H-indazol-6-yl)-3-prop-2-enylthiourea
CID 2396742
1-(1H-indazol-6-yl)-3-phenylthiourea
CID 2396745
1-(1H-indazol-6-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 4536543
1-benzoyl-3-(1H-indazol-5-yl)thiourea
CID 849675
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(3,4-difluorophenyl)-1H-indazole-5-carboxamide
CID 77844665
4-((1-butyl-3-(1H-indazol-6-yl)ureido)methyl)-N-hydroxybenzamide
CID 117855071

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylcarbamothioyl)benzamide?
The IUPAC name of N-(1H-indazol-6-ylcarbamothioyl)benzamide (CID 1481180) is N-(1H-indazol-6-ylcarbamothioyl)benzamide.
What is the SMILES notation for N-(1H-indazol-6-ylcarbamothioyl)benzamide?
The canonical SMILES for N-(1H-indazol-6-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1ccc2cn[nH]c2c1)c1ccccc1.
What is the InChIKey of N-(1H-indazol-6-ylcarbamothioyl)benzamide?
The InChIKey is BOQDSDCNVCRLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(10-4-2-1-3-5-10)18-15(21)17-12-7-6-11-9-16-19-13(11)8-12/h1-9H,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-(1H-indazol-6-ylcarbamothioyl)benzamide?
N-(1H-indazol-6-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-6-ylcarbamothioyl)benzamide is sourced from PubChem (CID 1481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).