N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

C20H19N5O4S2 — CID 139234981

IUPACN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)c2sc(-c3cnccn3)nc2C)cc1OC
InChIInChI=1S/C20H19N5O4S2/c1-11-17(31-19(23-11)13-9-21-6-7-22-13)18(27)24-25-16(26)10-30-20(25)12-4-5-14(28-2)15(8-12)29-3/h4-9,20H,10H2,1-3H3,(H,24,27)
InChIKeyGAQJQUGHGUFIPU-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 139234981) has the molecular formula C20H19N5O4S2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID139234981
Molecular FormulaC20H19N5O4S2
Molecular Weight457.54 g/mol
Exact Mass457.09
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)c2sc(-c3cnccn3)nc2C)cc1OC
InChIInChI=1S/C20H19N5O4S2/c1-11-17(31-19(23-11)13-9-21-6-7-22-13)18(27)24-25-16(26)10-30-20(25)12-4-5-14(28-2)15(8-12)29-3/h4-9,20H,10H2,1-3H3,(H,24,27)
InChIKeyGAQJQUGHGUFIPU-UHFFFAOYSA-N
XLogP2.84
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide (CID 139234981) is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is COc1ccc(C2SCC(=O)N2NC(=O)c2sc(-c3cnccn3)nc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GAQJQUGHGUFIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S2/c1-11-17(31-19(23-11)13-9-21-6-7-22-13)18(27)24-25-16(26)10-30-20(25)12-4-5-14(28-2)15(8-12)29-3/h4-9,20H,10H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139234981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).