2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

C19H24F3NO3S — CID 42729183

IUPAC2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3NO3S/c1-11(2)9-26-18(25)15-10-27-17(12(3)4)23(15)16(24)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyFPXYVIFVTZLDHD-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.44
Rot. Bonds5

About 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate

2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 42729183) has the molecular formula C19H24F3NO3S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID42729183
Molecular FormulaC19H24F3NO3S
Molecular Weight403.47 g/mol
Exact Mass403.14
IUPAC Name2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
SMILESCC(C)COC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3NO3S/c1-11(2)9-26-18(25)15-10-27-17(12(3)4)23(15)16(24)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyFPXYVIFVTZLDHD-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3-(4-butylbenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 3561416
2-methylpropyl 2-(2-chlorophenyl)-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42744591
propyl (2R,4S)-3-(4-bromobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7330944
butyl (2S,4S)-3-(4-methoxybenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7417425
2-methylpropyl 3-(4-ethylbenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 3914027
butyl (2R,4R)-3-(naphthalene-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7328067
2-methylpropyl 3-(3-fluorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 42745552
2-methylpropyl 2-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729397
propyl 3-(4-methyl-3-nitrobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 5095024
butyl (2S,4R)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7362470
methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
3-(4-methylbenzoyl)-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 42743968

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate (CID 42729183) is 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is CC(C)COC(=O)C1CSC(C(C)C)N1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is FPXYVIFVTZLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3S/c1-11(2)9-26-18(25)15-10-27-17(12(3)4)23(15)16(24)13-5-7-14(8-6-13)19(20,21)22/h5-8,11-12,15,17H,9-10H2,1-4H3.
What are the key properties of 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate?
2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 403.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-propan-2-yl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).