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

C23H23ClN4O3S2 — CID 3254871

IUPAC2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)s1
InChIInChI=1S/C23H23ClN4O3S2/c1-14-6-7-19(33-14)22(31)27-26-21(30)18-13-32-23(25-18)15-8-10-28(11-9-15)20(29)12-16-4-2-3-5-17(16)24/h2-7,13,15H,8-12H2,1H3,(H,26,30)(H,27,31)
InChIKeySAZKVRODSWUVAZ-UHFFFAOYSA-N
MW503.05 g/mol
LogP4.19
Rot. Bonds5

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

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 3254871) has the molecular formula C23H23ClN4O3S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID3254871
Molecular FormulaC23H23ClN4O3S2
Molecular Weight503.05 g/mol
Exact Mass502.09
IUPAC Name2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)s1
InChIInChI=1S/C23H23ClN4O3S2/c1-14-6-7-19(33-14)22(31)27-26-21(30)18-13-32-23(25-18)15-8-10-28(11-9-15)20(29)12-16-4-2-3-5-17(16)24/h2-7,13,15H,8-12H2,1H3,(H,26,30)(H,27,31)
InChIKeySAZKVRODSWUVAZ-UHFFFAOYSA-N
XLogP4.19
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.05
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 3254871) is 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2csc(C3CCN(C(=O)Cc4ccccc4Cl)CC3)n2)s1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is SAZKVRODSWUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S2/c1-14-6-7-19(33-14)22(31)27-26-21(30)18-13-32-23(25-18)15-8-10-28(11-9-15)20(29)12-16-4-2-3-5-17(16)24/h2-7,13,15H,8-12H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 503.05 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3254871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).