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

C18H17N3OS — CID 667386

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-23-9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyXOJBAQLBKXHBEW-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.84
Rot. Bonds2

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide (PubChem CID 667386) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide
PubChem CID667386
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
InChIInChI=1S/C18H17N3OS/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-23-9-8-21(16)17/h2-7,10H,8-9,11H2,1H3,(H,19,22)
InChIKeyXOJBAQLBKXHBEW-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.84
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)-4-methylbenzamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide (CID 667386) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide is Cc1ccc(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-methylbenzamide?
The InChIKey is XOJBAQLBKXHBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-2-4-13(5-3-12)18(22)19-14-6-7-16-15(10-14)20-17-11-23-9-8-21(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-methylbenzamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-4-methylbenzamide has a molecular weight of 323.42 g/mol, XLogP of 3.84, 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)-4-methylbenzamide is sourced from PubChem (CID 667386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).