2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide

C21H23N3O5S2 — CID 26738509

IUPAC2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2csc(-c3cccs3)n2)cc(OCC)c1OCC
InChIInChI=1S/C21H23N3O5S2/c1-4-27-15-10-13(11-16(28-5-2)18(15)29-6-3)19(25)23-24-20(26)14-12-31-21(22-14)17-8-7-9-30-17/h7-12H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQTWUKLMJGVTUJI-UHFFFAOYSA-N
MW461.57 g/mol
LogP4.14
Rot. Bonds9

About 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide

2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 26738509) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
PubChem CID26738509
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC Name2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2csc(-c3cccs3)n2)cc(OCC)c1OCC
InChIInChI=1S/C21H23N3O5S2/c1-4-27-15-10-13(11-16(28-5-2)18(15)29-6-3)19(25)23-24-20(26)14-12-31-21(22-14)17-8-7-9-30-17/h7-12H,4-6H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQTWUKLMJGVTUJI-UHFFFAOYSA-N
XLogP4.14
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 26760635
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
N'-[2-(2-cyanophenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 24514672
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 55439956
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide (CID 26738509) is 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2csc(-c3cccs3)n2)cc(OCC)c1OCC.
What is the InChIKey of 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is QTWUKLMJGVTUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-4-27-15-10-13(11-16(28-5-2)18(15)29-6-3)19(25)23-24-20(26)14-12-31-21(22-14)17-8-7-9-30-17/h7-12H,4-6H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide?
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 461.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 26738509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).