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

C18H17N3O2S — CID 666223

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C18H17N3O2S/c22-18(11-23-14-4-2-1-3-5-14)19-13-6-7-16-15(10-13)20-17-12-24-9-8-21(16)17/h1-7,10H,8-9,11-12H2,(H,19,22)
InChIKeyACGXHQUHVCDFCW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.30
Rot. Bonds4

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide (PubChem CID 666223) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide
PubChem CID666223
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C18H17N3O2S/c22-18(11-23-14-4-2-1-3-5-14)19-13-6-7-16-15(10-13)20-17-12-24-9-8-21(16)17/h1-7,10H,8-9,11-12H2,(H,19,22)
InChIKeyACGXHQUHVCDFCW-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889634
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 667164
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 50750414
2-(4-methoxyphenoxy)-N-(2-oxo-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)acetamide
CID 4889961
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-phenoxyacetamide
CID 46268794
2-(4-methoxyphenoxy)-N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
CID 50750469
2-(4-nitrophenoxy)-N-[2-(1-phenylethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]acetamide
CID 4897337
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[1-butyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide
CID 53207634
2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 46326896
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
2-(4-methyl-1,4-diazepan-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50783033

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide (CID 666223) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide?
The InChIKey is ACGXHQUHVCDFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-18(11-23-14-4-2-1-3-5-14)19-13-6-7-16-15(10-13)20-17-12-24-9-8-21(16)17/h1-7,10H,8-9,11-12H2,(H,19,22).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-phenoxyacetamide is sourced from PubChem (CID 666223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).