N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

C19H21N3O2S — CID 46326113

IUPACN-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(=O)n2c(nc3ccccc32)s1
InChIInChI=1S/C19H21N3O2S/c23-17-12-16(18(24)20-13-8-4-2-1-3-5-9-13)25-19-21-14-10-6-7-11-15(14)22(17)19/h6-7,10-13H,1-5,8-9H2,(H,20,24)
InChIKeyMARYZZGKEVIZSC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.75
Rot. Bonds2

About N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide

N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (PubChem CID 46326113) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
PubChem CID46326113
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc(=O)n2c(nc3ccccc32)s1
InChIInChI=1S/C19H21N3O2S/c23-17-12-16(18(24)20-13-8-4-2-1-3-5-9-13)25-19-21-14-10-6-7-11-15(14)22(17)19/h6-7,10-13H,1-5,8-9H2,(H,20,24)
InChIKeyMARYZZGKEVIZSC-UHFFFAOYSA-N
XLogP3.75
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 67030843
2-(azepane-1-carbonyl)-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 46326124
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869928
N-(4-ethylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 802231
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749
N-(4-chloro-2-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326110
N-(4-bromo-3-methylphenyl)-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326150
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326188
4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
CID 6622571
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326206
N-cycloheptyl-5-indol-1-ylthiophene-2-carboxamide
CID 20940648

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide (CID 46326113) is N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is O=C(NC1CCCCCCC1)c1cc(=O)n2c(nc3ccccc32)s1.
What is the InChIKey of N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
The InChIKey is MARYZZGKEVIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-12-16(18(24)20-13-8-4-2-1-3-5-9-13)25-19-21-14-10-6-7-11-15(14)22(17)19/h6-7,10-13H,1-5,8-9H2,(H,20,24).
What are the key properties of N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide?
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 46326113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).