methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate

C17H16N4O4S — CID 126002970

IUPACmethyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2c(C)nc3sccn23)cc1
InChIInChI=1S/C17H16N4O4S/c1-11-15(21-7-8-26-17(21)19-11)16(23)20-18-9-12-3-5-13(6-4-12)25-10-14(22)24-2/h3-9H,10H2,1-2H3,(H,20,23)/b18-9-
InChIKeyHSGANNDYAARVRQ-NVMNQCDNSA-N
MW372.41 g/mol
LogP2.02
Rot. Bonds6

About methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate

methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 126002970) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID126002970
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Namemethyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N\NC(=O)c2c(C)nc3sccn23)cc1
InChIInChI=1S/C17H16N4O4S/c1-11-15(21-7-8-26-17(21)19-11)16(23)20-18-9-12-3-5-13(6-4-12)25-10-14(22)24-2/h3-9H,10H2,1-2H3,(H,20,23)/b18-9-
InChIKeyHSGANNDYAARVRQ-NVMNQCDNSA-N
XLogP2.02
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.02
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'}

Analyze methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate with MolForge

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Related Compounds

6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 694638
6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135606342
methyl 2-[4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4036375
N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126006738
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 126009610
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 5426953
methyl 2-[4-[(E)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 133169409
methyl 2-[4-[(E)-(2-methylpropanoylhydrazinylidene)methyl]phenoxy]acetate
CID 94833193
methyl 2-[4-[(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 3606509

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate (CID 126002970) is methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N\NC(=O)c2c(C)nc3sccn23)cc1.
What is the InChIKey of methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is HSGANNDYAARVRQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-11-15(21-7-8-26-17(21)19-11)16(23)20-18-9-12-3-5-13(6-4-12)25-10-14(22)24-2/h3-9H,10H2,1-2H3,(H,20,23)/b18-9-.
What are the key properties of methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate?
methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 372.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(Z)-[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 126002970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).