(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one

C19H21N3O2S — CID 157089384

IUPAC(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
SMILESCc1ncsc1-c1ccc([C@@]2(C)CC(C3C[C@@H](O)CN3)=NC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-11-17(25-10-21-11)12-3-5-13(6-4-12)19(2)8-16(22-18(19)24)15-7-14(23)9-20-15/h3-6,10,14-15,20,23H,7-9H2,1-2H3/t14-,15?,19-/m1/s1
InChIKeyAEMDMPOWSGSNQC-NQUBZZJWSA-N
MW355.46 g/mol
LogP2.47
Rot. Bonds3

About (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one

(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one (PubChem CID 157089384) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one.

Molecular Properties

Compound Name(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
PubChem CID157089384
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
SMILESCc1ncsc1-c1ccc([C@@]2(C)CC(C3C[C@@H](O)CN3)=NC2=O)cc1
InChIInChI=1S/C19H21N3O2S/c1-11-17(25-10-21-11)12-3-5-13(6-4-12)19(2)8-16(22-18(19)24)15-7-14(23)9-20-15/h3-6,10,14-15,20,23H,7-9H2,1-2H3/t14-,15?,19-/m1/s1
InChIKeyAEMDMPOWSGSNQC-NQUBZZJWSA-N
XLogP2.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-5-oxo-3H-pyrrol-4-yl]phenyl]-1-methylpyridin-2-one
CID 157353937
(4S)-2-[(2S,4R)-1-[(2S)-1-acetylpiperidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 160810618
(4S)-2-[(2R,4R)-1-[(2R)-1-acetylpiperidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 160810612
2-[1-(3,3-dimethyl-1-methylsulfonylpyrrolidine-2-carbonyl)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 160810619
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 159578919
2-[4-hydroxy-1-[3-methyl-2-(1-methyltriazol-4-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 163555134
2-[(2S)-1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 159976427
(2S,4R)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 126619720
(2S,4R)-N-[(1R)-2-(dimethylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 139530817
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
CID 175840543
(3R)-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butan-1-one
CID 158073307
(3S)-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 170156064

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?
The IUPAC name of (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one (CID 157089384) is (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one.
What is the SMILES notation for (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?
The canonical SMILES for (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one is Cc1ncsc1-c1ccc([C@@]2(C)CC(C3C[C@@H](O)CN3)=NC2=O)cc1.
What is the InChIKey of (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?
The InChIKey is AEMDMPOWSGSNQC-NQUBZZJWSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11-17(25-10-21-11)12-3-5-13(6-4-12)19(2)8-16(22-18(19)24)15-7-14(23)9-20-15/h3-6,10,14-15,20,23H,7-9H2,1-2H3/t14-,15?,19-/m1/s1.
What are the key properties of (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one?
(4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one has a molecular weight of 355.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(4R)-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one is sourced from PubChem (CID 157089384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).