2-aminobenzamide;benzenecarbothioamide

C14H15N3OS — CID 175524927

IUPAC2-aminobenzamide;benzenecarbothioamide
SMILESNC(=O)c1ccccc1N.NC(=S)c1ccccc1
InChIInChI=1S/C7H8N2O.C7H7NS/c8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4H,8H2,(H2,9,10);1-5H,(H2,8,9)
InChIKeyVXXJMFOIPRWGAF-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.69
Rot. Bonds2

About 2-aminobenzamide;benzenecarbothioamide

2-aminobenzamide;benzenecarbothioamide (PubChem CID 175524927) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-aminobenzamide;benzenecarbothioamide.

Molecular Properties

Compound Name2-aminobenzamide;benzenecarbothioamide
PubChem CID175524927
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-aminobenzamide;benzenecarbothioamide
SMILESNC(=O)c1ccccc1N.NC(=S)c1ccccc1
InChIInChI=1S/C7H8N2O.C7H7NS/c8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4H,8H2,(H2,9,10);1-5H,(H2,8,9)
InChIKeyVXXJMFOIPRWGAF-UHFFFAOYSA-N
XLogP1.69
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzamide;piperazine
CID 174878244
(2-aminophenyl)-phenylmethanone
CID 158207972
2-aminobenzenecarbothioamide;hydrochloride
CID 172866295
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2-aminobenzamide;1H-pyridin-2-one
CID 68828870
2-aminobenzoic acid;urea
CID 158027537
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
2-aminobenzamide;piperidine-1-carboxylic acid
CID 174784714
CID 172796646
CID 172796646
2-aminobenzoic acid;hydrate
CID 70144361

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;benzenecarbothioamide?
The IUPAC name of 2-aminobenzamide;benzenecarbothioamide (CID 175524927) is 2-aminobenzamide;benzenecarbothioamide.
What is the SMILES notation for 2-aminobenzamide;benzenecarbothioamide?
The canonical SMILES for 2-aminobenzamide;benzenecarbothioamide is NC(=O)c1ccccc1N.NC(=S)c1ccccc1.
What is the InChIKey of 2-aminobenzamide;benzenecarbothioamide?
The InChIKey is VXXJMFOIPRWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C7H7NS/c8-6-4-2-1-3-5(6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4H,8H2,(H2,9,10);1-5H,(H2,8,9).
What are the key properties of 2-aminobenzamide;benzenecarbothioamide?
2-aminobenzamide;benzenecarbothioamide has a molecular weight of 273.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;benzenecarbothioamide is sourced from PubChem (CID 175524927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).