N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine

C16H20N2OS2 — CID 62451845

IUPACN-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
SMILESCCNCCCCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C16H20N2OS2/c1-3-17-7-4-5-8-19-13-10-14-15(18-11(2)21-14)16-12(13)6-9-20-16/h6,9-10,17H,3-5,7-8H2,1-2H3
InChIKeyLLMVEOBBQBBATL-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.59
Rot. Bonds7

About N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine

N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine (PubChem CID 62451845) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
PubChem CID62451845
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
SMILESCCNCCCCOc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C16H20N2OS2/c1-3-17-7-4-5-8-19-13-10-14-15(18-11(2)21-14)16-12(13)6-9-20-16/h6,9-10,17H,3-5,7-8H2,1-2H3
InChIKeyLLMVEOBBQBBATL-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.59
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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Related Compounds

N-methyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451687
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 29015348
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
CID 24702680
3-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxymethyl]pentan-3-ol
CID 114495960
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine
CID 77110517
3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropane-1,2-diol
CID 82850209
1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol
CID 16785315
2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 63072363
N-methyl-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451848
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 78872427
2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
CID 63576313

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine (CID 62451845) is N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine is CCNCCCCOc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
The InChIKey is LLMVEOBBQBBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-3-17-7-4-5-8-19-13-10-14-15(18-11(2)21-14)16-12(13)6-9-20-16/h6,9-10,17H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine?
N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine has a molecular weight of 320.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine is sourced from PubChem (CID 62451845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).