N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C21H21N3O2S — CID 108756827

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)CC1=O
InChIInChI=1S/C21H21N3O2S/c1-13(2)24-11-17(10-19(24)25)20(26)23-21-22-18(12-27-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyNYTJLHLCGDHPHA-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.16
Rot. Bonds4

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 108756827) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID108756827
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)CC1=O
InChIInChI=1S/C21H21N3O2S/c1-13(2)24-11-17(10-19(24)25)20(26)23-21-22-18(12-27-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,26)
InChIKeyNYTJLHLCGDHPHA-UHFFFAOYSA-N
XLogP4.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
1-(2-ethylphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16547907
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 18089660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038245
1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26174874
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6020814
1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 108747681

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 108756827) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)CC1=O.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NYTJLHLCGDHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13(2)24-11-17(10-19(24)25)20(26)23-21-22-18(12-27-21)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 108756827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).