2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide

C18H21N5O3S2 — CID 8842264

IUPAC2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3c(C)nn(C)c3C)cs2)cc1
InChIInChI=1S/C18H21N5O3S2/c1-5-13-6-8-14(9-7-13)18-19-15(10-27-18)17(24)20-22-28(25,26)16-11(2)21-23(4)12(16)3/h6-10,22H,5H2,1-4H3,(H,20,24)
InChIKeyLPZPKZLGSGOELI-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.35
Rot. Bonds6

About 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide

2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide (PubChem CID 8842264) has the molecular formula C18H21N5O3S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
PubChem CID8842264
Molecular FormulaC18H21N5O3S2
Molecular Weight419.53 g/mol
Exact Mass419.11
IUPAC Name2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3c(C)nn(C)c3C)cs2)cc1
InChIInChI=1S/C18H21N5O3S2/c1-5-13-6-8-14(9-7-13)18-19-15(10-27-18)17(24)20-22-28(25,26)16-11(2)21-23(4)12(16)3/h6-10,22H,5H2,1-4H3,(H,20,24)
InChIKeyLPZPKZLGSGOELI-UHFFFAOYSA-N
XLogP2.35
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.35
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-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842228
N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947613
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 26958679
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
N-(3-acetamido-2-methylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24673329
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380496
N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947550
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 8871536
ethyl 2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422116
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9083645

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide (CID 8842264) is 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide is CCc1ccc(-c2nc(C(=O)NNS(=O)(=O)c3c(C)nn(C)c3C)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is LPZPKZLGSGOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S2/c1-5-13-6-8-14(9-7-13)18-19-15(10-27-18)17(24)20-22-28(25,26)16-11(2)21-23(4)12(16)3/h6-10,22H,5H2,1-4H3,(H,20,24).
What are the key properties of 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide?
2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 419.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 8842264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).