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

C19H23N3O2S — CID 108751360

IUPAC1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc2)cs1
InChIInChI=1S/C19H23N3O2S/c1-12-20-16(11-25-12)13-5-7-15(8-6-13)21-18(24)14-9-17(23)22(10-14)19(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,21,24)
InChIKeyABESPWMBHFUJLR-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.70
Rot. Bonds3

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

1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108751360) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108751360
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc2)cs1
InChIInChI=1S/C19H23N3O2S/c1-12-20-16(11-25-12)13-5-7-15(8-6-13)21-18(24)14-9-17(23)22(10-14)19(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,21,24)
InChIKeyABESPWMBHFUJLR-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108751465
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
1-tert-butyl-5-oxo-N-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 108762046
1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 6497362
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 46951731
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438332
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 108751360) is 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(-c2ccc(NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc2)cs1.
What is the InChIKey of 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ABESPWMBHFUJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-20-16(11-25-12)13-5-7-15(8-6-13)21-18(24)14-9-17(23)22(10-14)19(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,21,24).
What are the key properties of 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108751360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).