2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide

C10H8N2OS3 — CID 2769195

IUPAC2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nc(=S)ss1
InChIInChI=1S/C10H8N2OS3/c1-6-4-2-3-5-7(6)8(13)11-9-12-10(14)16-15-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyCKCZMSJXYALFOI-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.49
Rot. Bonds2

About 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide

2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide (PubChem CID 2769195) has the molecular formula C10H8N2OS3 and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
PubChem CID2769195
Molecular FormulaC10H8N2OS3
Molecular Weight268.39 g/mol
Exact Mass267.98
IUPAC Name2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nc(=S)ss1
InChIInChI=1S/C10H8N2OS3/c1-6-4-2-3-5-7(6)8(13)11-9-12-10(14)16-15-9/h2-5H,1H3,(H,11,12,13,14)
InChIKeyCKCZMSJXYALFOI-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 142696172
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
N-[5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176766
5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazole-2-sulfonyl chloride
CID 100587660
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide (CID 2769195) is 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide is Cc1ccccc1C(=O)Nc1nc(=S)ss1.
What is the InChIKey of 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
The InChIKey is CKCZMSJXYALFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS3/c1-6-4-2-3-5-7(6)8(13)11-9-12-10(14)16-15-9/h2-5H,1H3,(H,11,12,13,14).
What are the key properties of 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide?
2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide has a molecular weight of 268.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-sulfanylidene-1,2,4-dithiazol-3-yl)benzamide is sourced from PubChem (CID 2769195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).