N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide

C19H17N3O3S2 — CID 8947613

IUPACN'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNC(=O)c3ccc(C(C)=O)s3)cs2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-3-12-4-6-13(7-5-12)19-20-14(10-26-19)17(24)21-22-18(25)16-9-8-15(27-16)11(2)23/h4-10H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQPMXYVOMJIIWMU-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.71
Rot. Bonds5

About N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide

N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 8947613) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID8947613
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC NameN'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNC(=O)c3ccc(C(C)=O)s3)cs2)cc1
InChIInChI=1S/C19H17N3O3S2/c1-3-12-4-6-13(7-5-12)19-20-14(10-26-19)17(24)21-22-18(25)16-9-8-15(27-16)11(2)23/h4-10H,3H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyQPMXYVOMJIIWMU-UHFFFAOYSA-N
XLogP3.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.71
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

N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
CID 8947550
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-(4-ethylphenyl)-N'-thiophen-2-ylsulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842228
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]amino]urea
CID 41131411
2-(4-ethylphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24538060
2-(4-ethylphenyl)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazole-4-carbohydrazide
CID 8842264
2-(4-ethylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-4-carboxamide
CID 135776908
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 17398664

Frequently Asked Questions

What is the IUPAC name of N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide (CID 8947613) is N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide is CCc1ccc(-c2nc(C(=O)NNC(=O)c3ccc(C(C)=O)s3)cs2)cc1.
What is the InChIKey of N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is QPMXYVOMJIIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c1-3-12-4-6-13(7-5-12)19-20-14(10-26-19)17(24)21-22-18(25)16-9-8-15(27-16)11(2)23/h4-10H,3H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 399.50 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetylthiophene-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 8947613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).