N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C19H20F3N3O2S — CID 77437826

IUPACN-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)sn1
InChIInChI=1S/C19H20F3N3O2S/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)
InChIKeyPIXOIKMKGDOMNB-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.59
Rot. Bonds3

About N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 77437826) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID77437826
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC NameN-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)sn1
InChIInChI=1S/C19H20F3N3O2S/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27)
InChIKeyPIXOIKMKGDOMNB-UHFFFAOYSA-N
XLogP4.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
(2S)-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 70876170
(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953420
1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 110374080
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953364
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110424566
tert-butyl (2S)-2-[(3-tert-butyl-1,2-thiazol-5-yl)carbamoyl]piperidine-1-carboxylate
CID 58563765
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
N-tert-butyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373922
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 77437826) is N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCC(=O)N2c2ccc(C(F)(F)F)cc2)sn1.
What is the InChIKey of N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is PIXOIKMKGDOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c1-18(2,3)14-10-15(28-24-14)23-17(27)13-8-9-16(26)25(13)12-6-4-11(5-7-12)19(20,21)22/h4-7,10,13H,8-9H2,1-3H3,(H,23,27).
What are the key properties of N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-thiazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77437826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).