2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C14H16N4O3S — CID 5398443

IUPAC2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1OC
InChIInChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)/b16-7-
InChIKeyZSLHYHXQTPUMHR-APSNUPSMSA-N
MW320.37 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 5398443) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID5398443
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1OC
InChIInChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)/b16-7-
InChIKeyZSLHYHXQTPUMHR-APSNUPSMSA-N
XLogP1.81
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.81
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'}

Analyze 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-methyl-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazide
CID 135412158
2-amino-N'-(3,4-dimethoxybenzylidene)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 5398450
2-amino-4-methyl-N'-(3,4,5-trimethoxybenzylidene)-1,3-thiazole-5-carbohydrazide
CID 5435424
N-[(E)-(2-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899401
(E)-1-(2-(2-(2-methoxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9652713
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 6899400
ethyl 2-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 24310792
ethyl 2-[(2E)-2-[(3-hydroxy-4-methoxy-phenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 24310793
1-[4-methyl-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylene]hydrazino]thiazol-5-yl]ethanone
CID 73346444
1-[2-[(2E)-2-(1,3-benzodioxol-4-ylmethylene)hydrazino]-4-methyl-thiazol-5-yl]ethanone
CID 73347941
ethyl 2-[(2E)-2-[(4-hydroxy-3-methoxy-phenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 135607074
N-hydroxy-2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 177652406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 5398443) is 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(/C=N\NC(=O)c2sc(N)nc2C)c1OC.
What is the InChIKey of 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZSLHYHXQTPUMHR-APSNUPSMSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)/b16-7-.
What are the key properties of 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 5398443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).