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

C21H24FN3O2S — CID 42745368

IUPAC3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2cccnc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2S/c1-14(2)10-19-25(21(27)16-5-7-17(22)8-6-16)18(13-28-19)20(26)24-12-15-4-3-9-23-11-15/h3-9,11,14,18-19H,10,12-13H2,1-2H3,(H,24,26)
InChIKeyOBMZRCVDNHOZRT-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.47
Rot. Bonds6

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

3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745368) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745368
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC Name3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2cccnc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2S/c1-14(2)10-19-25(21(27)16-5-7-17(22)8-6-16)18(13-28-19)20(26)24-12-15-4-3-9-23-11-15/h3-9,11,14,18-19H,10,12-13H2,1-2H3,(H,24,26)
InChIKeyOBMZRCVDNHOZRT-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748214
2-(3-fluorophenyl)-3-propanoyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748564
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780340
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42743930
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42745368) is 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCc2cccnc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OBMZRCVDNHOZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c1-14(2)10-19-25(21(27)16-5-7-17(22)8-6-16)18(13-28-19)20(26)24-12-15-4-3-9-23-11-15/h3-9,11,14,18-19H,10,12-13H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).