2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide

C14H16N4O3S — CID 4645789

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cc(C(C)=NNC(=O)Cc2csc(N)n2)ccc1O
InChIInChI=1S/C14H16N4O3S/c1-8(9-3-4-11(19)12(5-9)21-2)17-18-13(20)6-10-7-22-14(15)16-10/h3-5,7,19H,6H2,1-2H3,(H2,15,16)(H,18,20)
InChIKeyLTTMVGYABSSOIZ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.52
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 4645789) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
PubChem CID4645789
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cc(C(C)=NNC(=O)Cc2csc(N)n2)ccc1O
InChIInChI=1S/C14H16N4O3S/c1-8(9-3-4-11(19)12(5-9)21-2)17-18-13(20)6-10-7-22-14(15)16-10/h3-5,7,19H,6H2,1-2H3,(H2,15,16)(H,18,20)
InChIKeyLTTMVGYABSSOIZ-UHFFFAOYSA-N
XLogP1.52
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 5236846
2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
CID 9463684
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 116575667
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-1-(5-nitrofuran-2-yl)ethylideneamino]acetamide
CID 6383181

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide (CID 4645789) is 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide is COc1cc(C(C)=NNC(=O)Cc2csc(N)n2)ccc1O.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is LTTMVGYABSSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8(9-3-4-11(19)12(5-9)21-2)17-18-13(20)6-10-7-22-14(15)16-10/h3-5,7,19H,6H2,1-2H3,(H2,15,16)(H,18,20).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4645789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).