N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

C16H15N3O3S — CID 25256866

IUPACN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-6-4-11(5-7-13)16-19(14(20)10-23-16)18-15(21)12-3-2-8-17-9-12/h2-9,16H,10H2,1H3,(H,18,21)
InChIKeyFHEKGARVWDHLFR-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide (PubChem CID 25256866) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
PubChem CID25256866
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-13-6-4-11(5-7-13)16-19(14(20)10-23-16)18-15(21)12-3-2-8-17-9-12/h2-9,16H,10H2,1H3,(H,18,21)
InChIKeyFHEKGARVWDHLFR-UHFFFAOYSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide (CID 25256866) is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide is COc1ccc(C2SCC(=O)N2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is FHEKGARVWDHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-13-6-4-11(5-7-13)16-19(14(20)10-23-16)18-15(21)12-3-2-8-17-9-12/h2-9,16H,10H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25256866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).