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

C24H25N3O2S — CID 108751465

IUPAC1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)CC1=O
InChIInChI=1S/C24H25N3O2S/c1-24(2,3)27-14-18(13-21(27)28)22(29)25-19-11-9-16(10-12-19)20-15-30-23(26-20)17-7-5-4-6-8-17/h4-12,15,18H,13-14H2,1-3H3,(H,25,29)
InChIKeyULOLIRBPUGFBPA-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.06
Rot. Bonds4

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

1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 108751465) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID108751465
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)CC1=O
InChIInChI=1S/C24H25N3O2S/c1-24(2,3)27-14-18(13-21(27)28)22(29)25-19-11-9-16(10-12-19)20-15-30-23(26-20)17-7-5-4-6-8-17/h4-12,15,18H,13-14H2,1-3H3,(H,25,29)
InChIKeyULOLIRBPUGFBPA-UHFFFAOYSA-N
XLogP5.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108751360
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 46951731
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
1-(4-methoxyphenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108748058
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 108762046
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352606
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide (CID 108751465) is 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ULOLIRBPUGFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-24(2,3)27-14-18(13-21(27)28)22(29)25-19-11-9-16(10-12-19)20-15-30-23(26-20)17-7-5-4-6-8-17/h4-12,15,18H,13-14H2,1-3H3,(H,25,29).
What are the key properties of 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108751465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).