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

C14H17N3OS — CID 666952

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C14H17N3OS/c1-9(2)14(18)15-10-3-4-12-11(7-10)16-13-8-19-6-5-17(12)13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyTZWXWLKDADPAOC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.88
Rot. Bonds2

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide (PubChem CID 666952) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide
PubChem CID666952
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C14H17N3OS/c1-9(2)14(18)15-10-3-4-12-11(7-10)16-13-8-19-6-5-17(12)13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyTZWXWLKDADPAOC-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide (CID 666952) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide?
The InChIKey is TZWXWLKDADPAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)14(18)15-10-3-4-12-11(7-10)16-13-8-19-6-5-17(12)13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)-2-methylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 2.88, 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)-2-methylpropanamide is sourced from PubChem (CID 666952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).