2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide

C14H15N3OS2 — CID 43175291

IUPAC2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide
SMILES[H]/N=C(\N)C(C)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H15N3OS2/c1-7(14(15)16)6-18-10-5-11-12(17-8(2)20-11)13-9(10)3-4-19-13/h3-5,7H,6H2,1-2H3,(H3,15,16)
InChIKeyUFSQMZLGHKGCDC-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide

2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide (PubChem CID 43175291) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide
PubChem CID43175291
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide
SMILES[H]/N=C(\N)C(C)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H15N3OS2/c1-7(14(15)16)6-18-10-5-11-12(17-8(2)20-11)13-9(10)3-4-19-13/h3-5,7H,6H2,1-2H3,(H3,15,16)
InChIKeyUFSQMZLGHKGCDC-UHFFFAOYSA-N
XLogP3.77
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide 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 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide?
The IUPAC name of 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide (CID 43175291) is 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide.
What is the SMILES notation for 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide?
The canonical SMILES for 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide is [H]/N=C(\N)C(C)COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide?
The InChIKey is UFSQMZLGHKGCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-7(14(15)16)6-18-10-5-11-12(17-8(2)20-11)13-9(10)3-4-19-13/h3-5,7H,6H2,1-2H3,(H3,15,16).
What are the key properties of 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide?
2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide has a molecular weight of 305.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide is sourced from PubChem (CID 43175291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).