2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C24H26N4O3S3 — CID 4598056

IUPAC2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCSc1ccc(CC(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc(C)s4)cs3)CC2)cc1
InChIInChI=1S/C24H26N4O3S3/c1-15-3-8-20(34-15)23(31)27-26-22(30)19-14-33-24(25-19)17-9-11-28(12-10-17)21(29)13-16-4-6-18(32-2)7-5-16/h3-8,14,17H,9-13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNQEULKJNCODEJQ-UHFFFAOYSA-N
MW514.70 g/mol
LogP4.26
Rot. Bonds6

About 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 4598056) has the molecular formula C24H26N4O3S3 and a molecular weight of 514.70 g/mol. Its IUPAC name is 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID4598056
Molecular FormulaC24H26N4O3S3
Molecular Weight514.70 g/mol
Exact Mass514.12
IUPAC Name2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCSc1ccc(CC(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc(C)s4)cs3)CC2)cc1
InChIInChI=1S/C24H26N4O3S3/c1-15-3-8-20(34-15)23(31)27-26-22(30)19-14-33-24(25-19)17-9-11-28(12-10-17)21(29)13-16-4-6-18(32-2)7-5-16/h3-8,14,17H,9-13H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNQEULKJNCODEJQ-UHFFFAOYSA-N
XLogP4.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.70
LogP ≤ 54.26
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-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3254871
2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3872357
2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3456165
ethyl 3-[2-[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]hydrazinyl]-3-oxopropanoate
CID 3687362
N-(5-chloro-2-methoxyphenyl)-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4989865
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3821297
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 23909850
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 23762695
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4986303
N-[(4-chloro-2-methylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5011218
N-(2-ethylpyrazol-3-yl)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23911402
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(2-methylpropoxy)propyl]-1,3-thiazole-4-carboxamide
CID 3870448

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 4598056) is 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is CSc1ccc(CC(=O)N2CCC(c3nc(C(=O)NNC(=O)c4ccc(C)s4)cs3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is NQEULKJNCODEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S3/c1-15-3-8-20(34-15)23(31)27-26-22(30)19-14-33-24(25-19)17-9-11-28(12-10-17)21(29)13-16-4-6-18(32-2)7-5-16/h3-8,14,17H,9-13H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 514.70 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 4598056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).