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

C13H15N3OS — CID 667206

IUPACN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C13H15N3OS/c1-2-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyYKKYGHXXHPACNI-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.63
Rot. Bonds2

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

N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide (PubChem CID 667206) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide
PubChem CID667206
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1
InChIInChI=1S/C13H15N3OS/c1-2-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyYKKYGHXXHPACNI-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide 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)propanamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide (CID 667206) is N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide is CCC(=O)Nc1ccc2c(c1)nc1n2CCSC1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide?
The InChIKey is YKKYGHXXHPACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-13(17)14-9-3-4-11-10(7-9)15-12-8-18-6-5-16(11)12/h3-4,7H,2,5-6,8H2,1H3,(H,14,17).
What are the key properties of N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide?
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.63, 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)propanamide is sourced from PubChem (CID 667206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).