methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate

C15H15N3O4S — CID 10711694

IUPACmethyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCO/N=C(\C(=O)OC)c1csc(/N=C/c2cccc(OC)c2)n1
InChIInChI=1S/C15H15N3O4S/c1-20-11-6-4-5-10(7-11)8-16-15-17-12(9-23-15)13(18-22-3)14(19)21-2/h4-9H,1-3H3/b16-8+,18-13-
InChIKeyDSTWDASTWVNUHD-XCRGMJEXSA-N
MW333.37 g/mol
LogP2.43
Rot. Bonds6

About methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate

methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate (PubChem CID 10711694) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate
PubChem CID10711694
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Namemethyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate
SMILESCO/N=C(\C(=O)OC)c1csc(/N=C/c2cccc(OC)c2)n1
InChIInChI=1S/C15H15N3O4S/c1-20-11-6-4-5-10(7-11)8-16-15-17-12(9-23-15)13(18-22-3)14(19)21-2/h4-9H,1-3H3/b16-8+,18-13-
InChIKeyDSTWDASTWVNUHD-XCRGMJEXSA-N
XLogP2.43
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.43
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'}

Analyze methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
tert-butyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 142637269
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
methyl 2-[(3-methoxyphenyl)methylidene]-3-oxobutanoate
CID 54100081

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate (CID 10711694) is methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate is CO/N=C(\C(=O)OC)c1csc(/N=C/c2cccc(OC)c2)n1.
What is the InChIKey of methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DSTWDASTWVNUHD-XCRGMJEXSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-20-11-6-4-5-10(7-11)8-16-15-17-12(9-23-15)13(18-22-3)14(19)21-2/h4-9H,1-3H3/b16-8+,18-13-.
What are the key properties of methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate?
methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 333.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyimino-2-[2-[(E)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 10711694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).