N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

C16H18N2O3S2 — CID 78872427

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCCN(CCO)C(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C16H18N2O3S2/c1-3-18(5-6-19)14(20)9-21-12-8-13-15(17-10(2)23-13)16-11(12)4-7-22-16/h4,7-8,19H,3,5-6,9H2,1-2H3
InChIKeyGXCWUZHQHKLJTF-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.04
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (PubChem CID 78872427) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
PubChem CID78872427
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCCN(CCO)C(=O)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C16H18N2O3S2/c1-3-18(5-6-19)14(20)9-21-12-8-13-15(17-10(2)23-13)16-11(12)4-7-22-16/h4,7-8,19H,3,5-6,9H2,1-2H3
InChIKeyGXCWUZHQHKLJTF-UHFFFAOYSA-N
XLogP3.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
3-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxymethyl]pentan-3-ol
CID 114495960
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)oxypropane-1,2-diol
CID 82850209
2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
CID 55694116
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51126918
2-(3-fluorophenyl)-2-[methyl-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetamide
CID 56569582
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 51173449
N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451845
1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol
CID 16785315
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (CID 78872427) is N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is CCN(CCO)C(=O)COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The InChIKey is GXCWUZHQHKLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-3-18(5-6-19)14(20)9-21-12-8-13-15(17-10(2)23-13)16-11(12)4-7-22-16/h4,7-8,19H,3,5-6,9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide has a molecular weight of 350.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is sourced from PubChem (CID 78872427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).