2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide

C16H15N3O3S3 — CID 8842228

IUPAC2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C16H15N3O3S3/c1-2-11-5-7-12(8-6-11)16-17-13(10-24-16)15(20)18-19-25(21,22)14-4-3-9-23-14/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyACHXYJBSFXLMCK-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide

2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide (PubChem CID 8842228) has the molecular formula C16H15N3O3S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
PubChem CID8842228
Molecular FormulaC16H15N3O3S3
Molecular Weight393.52 g/mol
Exact Mass393.03
IUPAC Name2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C16H15N3O3S3/c1-2-11-5-7-12(8-6-11)16-17-13(10-24-16)15(20)18-19-25(21,22)14-4-3-9-23-14/h3-10,19H,2H2,1H3,(H,18,20)
InChIKeyACHXYJBSFXLMCK-UHFFFAOYSA-N
XLogP3.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842264
N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947613
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 26958679
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9083645
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837935
N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947550
N'-thiophen-2-ylsulfonylacetohydrazide
CID 8500698
4-ethyl-N-[2-(thiophen-2-ylsulfonylamino)ethyl]benzamide
CID 71912305

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide (CID 8842228) is 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide is CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3cccs3)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is ACHXYJBSFXLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S3/c1-2-11-5-7-12(8-6-11)16-17-13(10-24-16)15(20)18-19-25(21,22)14-4-3-9-23-14/h3-10,19H,2H2,1H3,(H,18,20).
What are the key properties of 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide?
2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 393.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 8842228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).