2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide

C20H19N3O3S — CID 46422350

IUPAC2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(-c2nc(C(=O)NNC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-26-16-10-8-15(9-11-16)20-21-17(13-27-20)19(25)23-22-18(24)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBMHCQGSNBINSMT-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide

2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 46422350) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
PubChem CID46422350
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(-c2nc(C(=O)NNC(=O)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-2-26-16-10-8-15(9-11-16)20-21-17(13-27-20)19(25)23-22-18(24)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBMHCQGSNBINSMT-UHFFFAOYSA-N
XLogP3.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-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

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
2-(3,4-dimethoxyphenyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24503094
2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55765870
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide (CID 46422350) is 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide is CCOc1ccc(-c2nc(C(=O)NNC(=O)Cc3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is BMHCQGSNBINSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-26-16-10-8-15(9-11-16)20-21-17(13-27-20)19(25)23-22-18(24)12-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide?
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 381.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46422350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).