N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

C20H21N3O4S2 — CID 43017306

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2sc(-c3cccs3)nc2C)cc1
InChIInChI=1S/C20H21N3O4S2/c1-4-26-14-7-9-15(10-8-14)27-13(3)18(24)22-23-19(25)17-12(2)21-20(29-17)16-6-5-11-28-16/h5-11,13H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHKPKVSAETXAFOJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.81
Rot. Bonds7

About N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 43017306) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID43017306
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)c2sc(-c3cccs3)nc2C)cc1
InChIInChI=1S/C20H21N3O4S2/c1-4-26-14-7-9-15(10-8-14)27-13(3)18(24)22-23-19(25)17-12(2)21-20(29-17)16-6-5-11-28-16/h5-11,13H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHKPKVSAETXAFOJ-UHFFFAOYSA-N
XLogP3.81
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429594
N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide
CID 55388431
2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
CID 55650629
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 43015344
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
N'-[2-(4-methoxyphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4942927

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide (CID 43017306) is N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)c2sc(-c3cccs3)nc2C)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HKPKVSAETXAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-4-26-14-7-9-15(10-8-14)27-13(3)18(24)22-23-19(25)17-12(2)21-20(29-17)16-6-5-11-28-16/h5-11,13H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 431.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 43017306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).