4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide

C18H17N3O2S — CID 4859310

IUPAC4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCS(=O)C2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-24(23)9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyBDTUQCZHOVEYDG-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.86
Rot. Bonds2

About 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide

4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide (PubChem CID 4859310) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
PubChem CID4859310
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCS(=O)C2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-24(23)9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyBDTUQCZHOVEYDG-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide with MolForge

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Related Compounds

(2S)-2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole-8-carboxylic acid
CID 99989293
2-(4-methoxyphenoxy)-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889961
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 16552567
N-(2-benzyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-4-methoxybenzamide
CID 2954264
4-methyl-N-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]benzamide
CID 46260906
5-amino-2-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 120639719
4-(2-methoxyethylsulfamoyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 37311482
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 667164
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889634
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide (CID 4859310) is 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCS(=O)C2)cc1.
What is the InChIKey of 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
The InChIKey is BDTUQCZHOVEYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-24(23)9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22).
What are the key properties of 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide is sourced from PubChem (CID 4859310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).