ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

C18H18N2O5S — CID 3443169

IUPACethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CCOC
InChIInChI=1S/C18H18N2O5S/c1-3-24-17(22)12-6-7-13-15(11-12)26-18(20(13)8-10-23-2)19-16(21)14-5-4-9-25-14/h4-7,9,11H,3,8,10H2,1-2H3/b19-18-
InChIKeyPTOWRAOAPSZNLK-HNENSFHCSA-N
MW374.42 g/mol
LogP2.86
Rot. Bonds6

About ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate (PubChem CID 3443169) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
PubChem CID3443169
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Nameethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CCOC
InChIInChI=1S/C18H18N2O5S/c1-3-24-17(22)12-6-7-13-15(11-12)26-18(20(13)8-10-23-2)19-16(21)14-5-4-9-25-14/h4-7,9,11H,3,8,10H2,1-2H3/b19-18-
InChIKeyPTOWRAOAPSZNLK-HNENSFHCSA-N
XLogP2.86
TPSA83.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate (CID 3443169) is ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate is CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CCOC.
What is the InChIKey of ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate?
The InChIKey is PTOWRAOAPSZNLK-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-3-24-17(22)12-6-7-13-15(11-12)26-18(20(13)8-10-23-2)19-16(21)14-5-4-9-25-14/h4-7,9,11H,3,8,10H2,1-2H3/b19-18-.
What are the key properties of ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate?
ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 3443169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).