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

C17H15N3OS — CID 667217

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21)
InChIKeySFWFOEULWVNPCK-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.54
Rot. Bonds2

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide (PubChem CID 667217) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
PubChem CID667217
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21)
InChIKeySFWFOEULWVNPCK-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)benzamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide (CID 667217) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide is O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
The InChIKey is SFWFOEULWVNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(12-4-2-1-3-5-12)18-13-6-7-15-14(10-13)19-16-11-22-9-8-20(15)16/h1-7,10H,8-9,11H2,(H,18,21).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)benzamide has a molecular weight of 309.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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)benzamide is sourced from PubChem (CID 667217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).