methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate

C17H16N2O5S — CID 3634320

IUPACmethyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC
InChIInChI=1S/C17H16N2O5S/c1-3-23-11-6-7-12-14(9-11)25-17(19(12)10-15(20)22-2)18-16(21)13-5-4-8-24-13/h4-9H,3,10H2,1-2H3/b18-17-
InChIKeyNEHRIQWBSBHCNM-ZCXUNETKSA-N
MW360.39 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate

methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate (PubChem CID 3634320) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
PubChem CID3634320
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Namemethyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC
InChIInChI=1S/C17H16N2O5S/c1-3-23-11-6-7-12-14(9-11)25-17(19(12)10-15(20)22-2)18-16(21)13-5-4-8-24-13/h4-9H,3,10H2,1-2H3/b18-17-
InChIKeyNEHRIQWBSBHCNM-ZCXUNETKSA-N
XLogP2.61
TPSA83.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 5049714
methyl 2-[6-acetamido-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 4146721
methyl 2-[6-ethoxy-2-(3-methyl-1,2-oxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 16880052
methyl 2-[6-ethoxy-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4671226
methyl 2-[2-(furan-2-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 40508896
methyl 2-[2-(3,4-dimethylbenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate
CID 4188321
methyl 2-[2-[4-(benzenesulfonamido)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate
CID 121043762
methyl 2-[6-ethoxy-2-[2-(4-ethylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41126693
ethyl 2-[6-ethoxy-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 5228808
methyl 2-[6-ethoxy-2-[4-[ethyl(phenyl)sulfamoyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 5067551
ethyl 2-[6-ethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 3410219
methyl 2-[2-(3-butoxybenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 4142709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate?
The IUPAC name of methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate (CID 3634320) is methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate is CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccco1)n2CC(=O)OC.
What is the InChIKey of methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate?
The InChIKey is NEHRIQWBSBHCNM-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-3-23-11-6-7-12-14(9-11)25-17(19(12)10-15(20)22-2)18-16(21)13-5-4-8-24-13/h4-9H,3,10H2,1-2H3/b18-17-.
What are the key properties of methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate?
methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate has a molecular weight of 360.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-ethoxy-2-(furan-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate is sourced from PubChem (CID 3634320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).