3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide

C23H25N5O2S — CID 163321926

IUPAC3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide
SMILESCc1ccnc(N2C(=O)CS[C@@H]2c2cccc(C(=O)NCCCCn3cccn3)c2)c1
InChIInChI=1S/C23H25N5O2S/c1-17-8-11-24-20(14-17)28-21(29)16-31-23(28)19-7-4-6-18(15-19)22(30)25-9-2-3-12-27-13-5-10-26-27/h4-8,10-11,13-15,23H,2-3,9,12,16H2,1H3,(H,25,30)/t23-/m1/s1
InChIKeyCPZPCICKSNXNHQ-HSZRJFAPSA-N
MW435.55 g/mol
LogP3.58
Rot. Bonds8

About 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide

3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide (PubChem CID 163321926) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide.

Molecular Properties

Compound Name3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide
PubChem CID163321926
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide
SMILESCc1ccnc(N2C(=O)CS[C@@H]2c2cccc(C(=O)NCCCCn3cccn3)c2)c1
InChIInChI=1S/C23H25N5O2S/c1-17-8-11-24-20(14-17)28-21(29)16-31-23(28)19-7-4-6-18(15-19)22(30)25-9-2-3-12-27-13-5-10-26-27/h4-8,10-11,13-15,23H,2-3,9,12,16H2,1H3,(H,25,30)/t23-/m1/s1
InChIKeyCPZPCICKSNXNHQ-HSZRJFAPSA-N
XLogP3.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide?
The IUPAC name of 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide (CID 163321926) is 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide.
What is the SMILES notation for 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide?
The canonical SMILES for 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide is Cc1ccnc(N2C(=O)CS[C@@H]2c2cccc(C(=O)NCCCCn3cccn3)c2)c1.
What is the InChIKey of 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide?
The InChIKey is CPZPCICKSNXNHQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-17-8-11-24-20(14-17)28-21(29)16-31-23(28)19-7-4-6-18(15-19)22(30)25-9-2-3-12-27-13-5-10-26-27/h4-8,10-11,13-15,23H,2-3,9,12,16H2,1H3,(H,25,30)/t23-/m1/s1.
What are the key properties of 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide?
3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrazol-1-ylbutyl)benzamide is sourced from PubChem (CID 163321926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).