2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C22H20N4O2S — CID 24513901

IUPAC2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C22H20N4O2S/c1-3-14-8-10-15(11-9-14)22-24-13(2)19(29-22)21(28)26-25-20(27)17-12-23-18-7-5-4-6-16(17)18/h4-12,23H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZTYNHINVYRVBLP-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.24
Rot. Bonds4

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

2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 24513901) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID24513901
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C22H20N4O2S/c1-3-14-8-10-15(11-9-14)22-24-13(2)19(29-22)21(28)26-25-20(27)17-12-23-18-7-5-4-6-16(17)18/h4-12,23H,3H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZTYNHINVYRVBLP-UHFFFAOYSA-N
XLogP4.24
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513912
1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 60526171
2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 134061924
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
2-(4-ethylphenyl)-4-methyl-N'-[2-(3-methylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 24514098
2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24666705
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 24513901) is 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is CCc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3c[nH]c4ccccc34)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZTYNHINVYRVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-3-14-8-10-15(11-9-14)22-24-13(2)19(29-22)21(28)26-25-20(27)17-12-23-18-7-5-4-6-16(17)18/h4-12,23H,3H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 404.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).