N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine

C14H16N2OS2 — CID 29015348

IUPACN-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
SMILESCNCCCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H16N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-5-15-2)10-4-7-18-14(10)13/h4,7-8,15H,3,5-6H2,1-2H3
InChIKeyNLYONHXVGUNXPQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.81
Rot. Bonds5

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

N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine (PubChem CID 29015348) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
PubChem CID29015348
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
SMILESCNCCCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C14H16N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-5-15-2)10-4-7-18-14(10)13/h4,7-8,15H,3,5-6H2,1-2H3
InChIKeyNLYONHXVGUNXPQ-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The IUPAC name of N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine (CID 29015348) is N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine is CNCCCOc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The InChIKey is NLYONHXVGUNXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-5-15-2)10-4-7-18-14(10)13/h4,7-8,15H,3,5-6H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine is sourced from PubChem (CID 29015348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).