N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

C20H20N4O3S — CID 168618861

IUPACN-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1C=NNc1nc(C)cs1
InChIInChI=1S/C20H20N4O3S/c1-14-13-28-20(22-14)24-21-11-15-7-3-5-9-17(15)27-12-19(25)23-16-8-4-6-10-18(16)26-2/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUPLDNOHXROIKMA-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.92
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168618861) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168618861
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1C=NNc1nc(C)cs1
InChIInChI=1S/C20H20N4O3S/c1-14-13-28-20(22-14)24-21-11-15-7-3-5-9-17(15)27-12-19(25)23-16-8-4-6-10-18(16)26-2/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUPLDNOHXROIKMA-UHFFFAOYSA-N
XLogP3.92
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

methyl 2-[[2-[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetyl]amino]benzoate
CID 168618935
N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578363
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776
4-methyl-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170462
4-methyl-N-[(Z)-(2-pentoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42421877
4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 4279816
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618103
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (CID 168618861) is N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccccc1C=NNc1nc(C)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is UPLDNOHXROIKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-13-28-20(22-14)24-21-11-15-7-3-5-9-17(15)27-12-19(25)23-16-8-4-6-10-18(16)26-2/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).