N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C18H21N3O2S — CID 16549275

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)sc1C
InChIInChI=1S/C18H21N3O2S/c1-12-13(2)24-18(19-12)20-17(23)15-10-16(22)21(11-15)9-8-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,20,23)
InChIKeyIIRUTVWNBNNHRY-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.79
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 16549275) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID16549275
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)sc1C
InChIInChI=1S/C18H21N3O2S/c1-12-13(2)24-18(19-12)20-17(23)15-10-16(22)21(11-15)9-8-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,20,23)
InChIKeyIIRUTVWNBNNHRY-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7873603
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-(2-benzyl-5-methylpyrazol-3-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55551408
5-oxo-1-(2-phenylethyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 51145908
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 41178293
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219
(3R)-N-(4-bromo-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51548209
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 16549275) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1nc(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is IIRUTVWNBNNHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-13(2)24-18(19-12)20-17(23)15-10-16(22)21(11-15)9-8-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,19,20,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 16549275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).