N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H20N4O5S — CID 8826639

IUPACN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2csc(C)n2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C17H20N4O5S/c1-10-20-12(9-27-10)6-16(23)21-19-7-11-4-13(24-2)17(14(5-11)25-3)26-8-15(18)22/h4-5,7,9H,6,8H2,1-3H3,(H2,18,22)(H,21,23)/b19-7-
InChIKeyLGKKEYUHMFPAGO-GXHLCREISA-N
MW392.44 g/mol
LogP1.03
Rot. Bonds9

About N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 8826639) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID8826639
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2csc(C)n2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C17H20N4O5S/c1-10-20-12(9-27-10)6-16(23)21-19-7-11-4-13(24-2)17(14(5-11)25-3)26-8-15(18)22/h4-5,7,9H,6,8H2,1-3H3,(H2,18,22)(H,21,23)/b19-7-
InChIKeyLGKKEYUHMFPAGO-GXHLCREISA-N
XLogP1.03
TPSA125.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
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)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463801
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463664
[2-methoxy-4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 4680207
N-[(4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4007901
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
CID 8826202
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463693
ethyl 2-[2-[2-[[3-iodo-5-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624693
2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 8861765
4-[(Z)-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]-2-nitrophenolate
CID 9463629
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 5000162

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 8826639) is N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1cc(/C=N\NC(=O)Cc2csc(C)n2)cc(OC)c1OCC(N)=O.
What is the InChIKey of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LGKKEYUHMFPAGO-GXHLCREISA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-10-20-12(9-27-10)6-16(23)21-19-7-11-4-13(24-2)17(14(5-11)25-3)26-8-15(18)22/h4-5,7,9H,6,8H2,1-3H3,(H2,18,22)(H,21,23)/b19-7-.
What are the key properties of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 8826639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).