ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate

C16H20N2O4S — CID 141486544

IUPACethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(OCC(=O)N(CC)CC)cc2s1
InChIInChI=1S/C16H20N2O4S/c1-4-18(5-2)14(19)10-22-11-7-8-12-13(9-11)23-15(17-12)16(20)21-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyJHHKOAPGPWGBSC-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.72
Rot. Bonds7

About ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate

ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate (PubChem CID 141486544) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate
PubChem CID141486544
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Nameethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(OCC(=O)N(CC)CC)cc2s1
InChIInChI=1S/C16H20N2O4S/c1-4-18(5-2)14(19)10-22-11-7-8-12-13(9-11)23-15(17-12)16(20)21-6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyJHHKOAPGPWGBSC-UHFFFAOYSA-N
XLogP2.72
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
CID 141486523
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
CID 16772841
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 22059303
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
N,N-diethyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 112787506
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61022121
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 43961325

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate?
The IUPAC name of ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate (CID 141486544) is ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate is CCOC(=O)c1nc2ccc(OCC(=O)N(CC)CC)cc2s1.
What is the InChIKey of ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate?
The InChIKey is JHHKOAPGPWGBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-4-18(5-2)14(19)10-22-11-7-8-12-13(9-11)23-15(17-12)16(20)21-6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate?
ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate is sourced from PubChem (CID 141486544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).