2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid

C17H17N5O4S — CID 173278414

IUPAC2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1CON=CCc1c(C)sc2ncnn12
InChIInChI=1S/C17H17N5O4S/c1-11-14(22-17(27-11)18-10-19-22)7-8-20-26-9-12-5-3-4-6-13(12)15(16(23)24)21-25-2/h3-6,8,10H,7,9H2,1-2H3,(H,23,24)
InChIKeyDWJBAHNGFGTMPN-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.28
Rot. Bonds8

About 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid

2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid (PubChem CID 173278414) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid
PubChem CID173278414
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid
SMILESCON=C(C(=O)O)c1ccccc1CON=CCc1c(C)sc2ncnn12
InChIInChI=1S/C17H17N5O4S/c1-11-14(22-17(27-11)18-10-19-22)7-8-20-26-9-12-5-3-4-6-13(12)15(16(23)24)21-25-2/h3-6,8,10H,7,9H2,1-2H3,(H,23,24)
InChIKeyDWJBAHNGFGTMPN-UHFFFAOYSA-N
XLogP2.28
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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Related Compounds

3-methoxy-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]but-2-enoic acid
CID 173278398
3-methoxy-2-[2-[[1-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]prop-2-enoic acid
CID 173278491
methyl (2E)-2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 90800488
methyl 2-[2-[(benzylideneamino)oxymethyl]phenyl]-2-methoxyiminoacetate
CID 72606228
2-[2-[[4-(4-chlorophenyl)but-3-en-2-ylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetic acid
CID 91365812
(2Z)-2-[2-[[(E)-2-[3-(2,2-dibromoethenyl)phenyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 140557349
(2E)-2-[2-[[3,5-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]methyl]phenyl]-2-methoxyiminoacetic acid
CID 87949328
methyl 2-[2-[[2-(2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 85335184
2-(2-hydroxyphenyl)-2-methoxyiminoacetic acid
CID 135997752
2-[[[(2Z)-2-cyclohexyl-2-methoxyiminoethylidene]amino]oxymethyl]benzoic acid
CID 90984212
methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-(5-methylthiadiazol-4-yl)ethylideneamino]oxymethyl]phenyl]acetate
CID 130291848
2-[[[(2Z)-2-cyclohexyl-2-methoxyiminoethylidene]amino]oxymethyl]benzoic acid;ethane
CID 90984211

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid?
The IUPAC name of 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid (CID 173278414) is 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid is CON=C(C(=O)O)c1ccccc1CON=CCc1c(C)sc2ncnn12.
What is the InChIKey of 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid?
The InChIKey is DWJBAHNGFGTMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-11-14(22-17(27-11)18-10-19-22)7-8-20-26-9-12-5-3-4-6-13(12)15(16(23)24)21-25-2/h3-6,8,10H,7,9H2,1-2H3,(H,23,24).
What are the key properties of 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid?
2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid has a molecular weight of 387.42 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-2-[2-[[2-(5-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylideneamino]oxymethyl]phenyl]acetic acid is sourced from PubChem (CID 173278414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).