3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C22H27N3O3S — CID 42748214

IUPAC3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H27N3O3S/c1-15(2)12-20-25(22(27)16-7-9-18(28-3)10-8-16)19(14-29-20)21(26)24-13-17-6-4-5-11-23-17/h4-11,15,19-20H,12-14H2,1-3H3,(H,24,26)
InChIKeyQPIJEAFWUCZJBS-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.34
Rot. Bonds7

About 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748214) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748214
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C22H27N3O3S/c1-15(2)12-20-25(22(27)16-7-9-18(28-3)10-8-16)19(14-29-20)21(26)24-13-17-6-4-5-11-23-17/h4-11,15,19-20H,12-14H2,1-3H3,(H,24,26)
InChIKeyQPIJEAFWUCZJBS-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748213
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748206
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
2-ethyl-N-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749230
3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748301
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745083
2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 3976969
1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42680250
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42748214) is 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QPIJEAFWUCZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15(2)12-20-25(22(27)16-7-9-18(28-3)10-8-16)19(14-29-20)21(26)24-13-17-6-4-5-11-23-17/h4-11,15,19-20H,12-14H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).