N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C17H23N3O2S — CID 56783780

IUPACN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc(N(C(=O)CN2CSCC2=O)C2CCCCC2)nc1
InChIInChI=1S/C17H23N3O2S/c1-13-7-8-15(18-9-13)20(14-5-3-2-4-6-14)16(21)10-19-12-23-11-17(19)22/h7-9,14H,2-6,10-12H2,1H3
InChIKeyOCLXXESMQKKUJR-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.59
Rot. Bonds4

About N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 56783780) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID56783780
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCc1ccc(N(C(=O)CN2CSCC2=O)C2CCCCC2)nc1
InChIInChI=1S/C17H23N3O2S/c1-13-7-8-15(18-9-13)20(14-5-3-2-4-6-14)16(21)10-19-12-23-11-17(19)22/h7-9,14H,2-6,10-12H2,1H3
InChIKeyOCLXXESMQKKUJR-UHFFFAOYSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 56783780) is N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is Cc1ccc(N(C(=O)CN2CSCC2=O)C2CCCCC2)nc1.
What is the InChIKey of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is OCLXXESMQKKUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-7-8-15(18-9-13)20(14-5-3-2-4-6-14)16(21)10-19-12-23-11-17(19)22/h7-9,14H,2-6,10-12H2,1H3.
What are the key properties of N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(5-methyl-2-pyridinyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 56783780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).