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

C18H17N3O2S — CID 666436

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-14-5-2-12(3-6-14)18(22)19-13-4-7-16-15(10-13)20-17-11-24-9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyHHMZFUHUAVTIGQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.54
Rot. Bonds3

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide (PubChem CID 666436) 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)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide
PubChem CID666436
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)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-14-5-2-12(3-6-14)18(22)19-13-4-7-16-15(10-13)20-17-11-24-9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyHHMZFUHUAVTIGQ-UHFFFAOYSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide (CID 666436) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide?
The InChIKey is HHMZFUHUAVTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-14-5-2-12(3-6-14)18(22)19-13-4-7-16-15(10-13)20-17-11-24-9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methoxybenzamide has a molecular weight of 339.42 g/mol, XLogP of 3.54, 3 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)-4-methoxybenzamide is sourced from PubChem (CID 666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).