methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

C12H11N3O4S — CID 10708837

IUPACmethyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1csc(/N=C/c2ccco2)n1
InChIInChI=1S/C12H11N3O4S/c1-17-11(16)10(15-18-2)9-7-20-12(14-9)13-6-8-4-3-5-19-8/h3-7H,1-2H3/b13-6+,15-10-
InChIKeyUDDATRWPLVLISD-MTIORJDESA-N
MW293.30 g/mol
LogP2.01
Rot. Bonds5

About methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate

methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 10708837) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID10708837
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Namemethyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OC)c1csc(/N=C/c2ccco2)n1
InChIInChI=1S/C12H11N3O4S/c1-17-11(16)10(15-18-2)9-7-20-12(14-9)13-6-8-4-3-5-19-8/h3-7H,1-2H3/b13-6+,15-10-
InChIKeyUDDATRWPLVLISD-MTIORJDESA-N
XLogP2.01
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 10708837) is methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CO/N=C(\C(=O)OC)c1csc(/N=C/c2ccco2)n1.
What is the InChIKey of methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is UDDATRWPLVLISD-MTIORJDESA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-17-11(16)10(15-18-2)9-7-20-12(14-9)13-6-8-4-3-5-19-8/h3-7H,1-2H3/b13-6+,15-10-.
What are the key properties of methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate has a molecular weight of 293.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[2-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 10708837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).