2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate

C17H18N3O5S- — CID 9463684

IUPAC2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
SMILESCOc1cc(/C(C)=N\NC(=O)Cc2csc(C)n2)ccc1OCC(=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-10(19-20-16(21)7-13-9-26-11(2)18-13)12-4-5-14(15(6-12)24-3)25-8-17(22)23/h4-6,9H,7-8H2,1-3H3,(H,20,21)(H,22,23)/p-1/b19-10-
InChIKeyALACLZUXZMQDCL-GRSHGNNSSA-M
MW376.41 g/mol
LogP0.67
Rot. Bonds8

About 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate

2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate (PubChem CID 9463684) has the molecular formula C17H18N3O5S- and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
PubChem CID9463684
Molecular FormulaC17H18N3O5S-
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
SMILESCOc1cc(/C(C)=N\NC(=O)Cc2csc(C)n2)ccc1OCC(=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-10(19-20-16(21)7-13-9-26-11(2)18-13)12-4-5-14(15(6-12)24-3)25-8-17(22)23/h4-6,9H,7-8H2,1-3H3,(H,20,21)(H,22,23)/p-1/b19-10-
InChIKeyALACLZUXZMQDCL-GRSHGNNSSA-M
XLogP0.67
TPSA112.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
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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Related Compounds

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4645789
2-[2-methoxy-4-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenoxy]acetate
CID 9071429
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate (CID 9463684) is 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate is COc1cc(/C(C)=N\NC(=O)Cc2csc(C)n2)ccc1OCC(=O)[O-].
What is the InChIKey of 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate?
The InChIKey is ALACLZUXZMQDCL-GRSHGNNSSA-M. The full InChI is InChI=1S/C17H19N3O5S/c1-10(19-20-16(21)7-13-9-26-11(2)18-13)12-4-5-14(15(6-12)24-3)25-8-17(22)23/h4-6,9H,7-8H2,1-3H3,(H,20,21)(H,22,23)/p-1/b19-10-.
What are the key properties of 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate?
2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate has a molecular weight of 376.41 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9463684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).