N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide

C19H18N4O3S — CID 8947550

IUPACN'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNC(=O)c3cc(C(C)=O)c[nH]3)cs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-3-12-4-6-13(7-5-12)19-21-16(10-27-19)18(26)23-22-17(25)15-8-14(9-20-15)11(2)24/h4-10,20H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDLLBZOUKUROWPJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.98
Rot. Bonds5

About N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide

N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 8947550) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID8947550
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCCc1ccc(-c2nc(C(=O)NNC(=O)c3cc(C(C)=O)c[nH]3)cs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-3-12-4-6-13(7-5-12)19-21-16(10-27-19)18(26)23-22-17(25)15-8-14(9-20-15)11(2)24/h4-10,20H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDLLBZOUKUROWPJ-UHFFFAOYSA-N
XLogP2.98
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-methylphenyl)-1,3-thiazol-4-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385733
2-(4-ethylphenyl)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1,3-thiazole-4-carboxamide
CID 135776908
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]amino]urea
CID 41131411
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
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
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'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide (CID 8947550) is N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide is CCc1ccc(-c2nc(C(=O)NNC(=O)c3cc(C(C)=O)c[nH]3)cs2)cc1.
What is the InChIKey of N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is DLLBZOUKUROWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-12-4-6-13(7-5-12)19-21-16(10-27-19)18(26)23-22-17(25)15-8-14(9-20-15)11(2)24/h4-10,20H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide?
N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 382.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetyl-1H-pyrrole-2-carbonyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 8947550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).