2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide

C19H18N4O4S — CID 55616820

IUPAC2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3[N+](=O)[O-])s2)cc1
InChIInChI=1S/C19H18N4O4S/c1-3-27-14-10-8-13(9-11-14)19-20-12(2)17(28-19)18(24)22-21-15-6-4-5-7-16(15)23(25)26/h4-11,21H,3H2,1-2H3,(H,22,24)
InChIKeyDYOIWUMEPACXDJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.18
Rot. Bonds7

About 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide

2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 55616820) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID55616820
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3[N+](=O)[O-])s2)cc1
InChIInChI=1S/C19H18N4O4S/c1-3-27-14-10-8-13(9-11-14)19-20-12(2)17(28-19)18(24)22-21-15-6-4-5-7-16(15)23(25)26/h4-11,21H,3H2,1-2H3,(H,22,24)
InChIKeyDYOIWUMEPACXDJ-UHFFFAOYSA-N
XLogP4.18
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide 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

N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 118986402
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724507
2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
CID 39117598
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide (CID 55616820) is 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide is CCOc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3[N+](=O)[O-])s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is DYOIWUMEPACXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-3-27-14-10-8-13(9-11-14)19-20-12(2)17(28-19)18(24)22-21-15-6-4-5-7-16(15)23(25)26/h4-11,21H,3H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide?
2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 398.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-methyl-N'-(2-nitrophenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55616820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).