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

C15H18N2OS2 — CID 62451848

IUPACN-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
SMILESCCC(CNC)Oc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H18N2OS2/c1-4-10(8-16-3)18-12-7-13-14(17-9(2)20-13)15-11(12)5-6-19-15/h5-7,10,16H,4,8H2,1-3H3
InChIKeyQTZLTUSUGJLVOB-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.20
Rot. Bonds5

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

N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine (PubChem CID 62451848) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
PubChem CID62451848
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
SMILESCCC(CNC)Oc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H18N2OS2/c1-4-10(8-16-3)18-12-7-13-14(17-9(2)20-13)15-11(12)5-6-19-15/h5-7,10,16H,4,8H2,1-3H3
InChIKeyQTZLTUSUGJLVOB-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methoxy-2-methylthieno[2,3-e][1,3]benzothiazole
CID 658425
Methyl 1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxylate
CID 2123527
5-[(4-Fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole
CID 8006847
3-(5-Methoxy-2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid
CID 2337330
3-[2-[2-(3-Fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
CID 3586773
3-[2-[2-(3-Fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
CID 3586774
N-(4-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide
CID 4787312
3-[2-[(E)-2-(3-fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
CID 5868197
3-[2-[(E)-2-(3-fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
CID 5868198
N-(4-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 8006848
3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
CID 24426408
3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonic acid
CID 24426409

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The IUPAC name of N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine (CID 62451848) is N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine is CCC(CNC)Oc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The InChIKey is QTZLTUSUGJLVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-4-10(8-16-3)18-12-7-13-14(17-9(2)20-13)15-11(12)5-6-19-15/h5-7,10,16H,4,8H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine has a molecular weight of 306.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine is sourced from PubChem (CID 62451848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).