(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

C20H23N3O3S — CID 51596528

IUPAC(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(CCNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-26-16-6-2-13(3-7-16)17-12-27-18(22-17)8-9-21-20(25)14-10-19(24)23(11-14)15-4-5-15/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyXLYJVBPPCMVNPH-CQSZACIVSA-N
MW385.49 g/mol
LogP2.49
Rot. Bonds7

About (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51596528) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51596528
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(-c2csc(CCNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-26-16-6-2-13(3-7-16)17-12-27-18(22-17)8-9-21-20(25)14-10-19(24)23(11-14)15-4-5-15/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyXLYJVBPPCMVNPH-CQSZACIVSA-N
XLogP2.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46972068
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 51596528) is (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(-c2csc(CCNC(=O)[C@@H]3CC(=O)N(C4CC4)C3)n2)cc1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XLYJVBPPCMVNPH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-26-16-6-2-13(3-7-16)17-12-27-18(22-17)8-9-21-20(25)14-10-19(24)23(11-14)15-4-5-15/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51596528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).