N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

C20H21N3O3S2 — CID 36843860

IUPACN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C20H21N3O3S2/c1-12(2)15-5-4-13(3)8-17(15)26-9-18(24)22-23-19(25)16-11-28-20(21-16)14-6-7-27-10-14/h4-8,10-12H,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUXAGNSRBPYQPPB-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.14
Rot. Bonds6

About N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 36843860) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID36843860
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C20H21N3O3S2/c1-12(2)15-5-4-13(3)8-17(15)26-9-18(24)22-23-19(25)16-11-28-20(21-16)14-6-7-27-10-14/h4-8,10-12H,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUXAGNSRBPYQPPB-UHFFFAOYSA-N
XLogP4.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-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

N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 35001469
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 26760635
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
N'-[2-(4-cyanophenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9085814
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
2,6-difluoro-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 36816947
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35271857

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (CID 36843860) is N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2csc(-c3ccsc3)n2)c1.
What is the InChIKey of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is UXAGNSRBPYQPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-12(2)15-5-4-13(3)8-17(15)26-9-18(24)22-23-19(25)16-11-28-20(21-16)14-6-7-27-10-14/h4-8,10-12H,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 415.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 36843860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).