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

C22H25FN2O3S — CID 42748206

IUPACN-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O3S/c1-14(2)12-20-25(22(27)15-8-10-16(28-3)11-9-15)19(13-29-20)21(26)24-18-7-5-4-6-17(18)23/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,26)
InChIKeyQAZYZMDUCAUSBG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.40
Rot. Bonds6

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

N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748206) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748206
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O3S/c1-14(2)12-20-25(22(27)15-8-10-16(28-3)11-9-15)19(13-29-20)21(26)24-18-7-5-4-6-17(18)23/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,26)
InChIKeyQAZYZMDUCAUSBG-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3663771
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
N-(2-fluorophenyl)-2-(furan-3-yl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745167
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748214
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397
N-(2-methoxyethyl)-3-(4-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745097
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745361
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748206) is N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C(=O)N2C(CC(C)C)SCC2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QAZYZMDUCAUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-14(2)12-20-25(22(27)15-8-10-16(28-3)11-9-15)19(13-29-20)21(26)24-18-7-5-4-6-17(18)23/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).