(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one

C18H20N4OS — CID 142572668

IUPAC(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one
SMILESCc1ncsc1-c1ccc([C@]2(C)N=C(C3CCCN3)NC2=O)cc1
InChIInChI=1S/C18H20N4OS/c1-11-15(24-10-20-11)12-5-7-13(8-6-12)18(2)17(23)21-16(22-18)14-4-3-9-19-14/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,21,22,23)/t14?,18-/m0/s1
InChIKeyWTPZROHAGZSYTQ-IBYPIGCZSA-N
MW340.45 g/mol
LogP2.61
Rot. Bonds3

About (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one

(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one (PubChem CID 142572668) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one
PubChem CID142572668
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one
SMILESCc1ncsc1-c1ccc([C@]2(C)N=C(C3CCCN3)NC2=O)cc1
InChIInChI=1S/C18H20N4OS/c1-11-15(24-10-20-11)12-5-7-13(8-6-12)18(2)17(23)21-16(22-18)14-4-3-9-19-14/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,21,22,23)/t14?,18-/m0/s1
InChIKeyWTPZROHAGZSYTQ-IBYPIGCZSA-N
XLogP2.61
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2S,4R)-4-hydroxy-2-[4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 166771180
(4S)-2-[(2R,4R)-1-[(2S)-1-acetylpiperidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572468
tert-butyl (4R)-4-hydroxy-2-[4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 157064053
(4S)-2-[(4R)-4-hydroxy-1-[(2S)-1-methylsulfonylpiperidine-2-carbonyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572827
2-[(2S,4R)-4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 166771149
ethane;4-methyl-4-[4-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one
CID 142572617
2-[1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572733
N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
CID 166013202
[(2S)-1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 155072137
N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 169040403
5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one
CID 142572522
(4S)-2-[(2R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-2,3-dihydropyrrol-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572774

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one?
The IUPAC name of (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one (CID 142572668) is (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one.
What is the SMILES notation for (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one?
The canonical SMILES for (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one is Cc1ncsc1-c1ccc([C@]2(C)N=C(C3CCCN3)NC2=O)cc1.
What is the InChIKey of (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one?
The InChIKey is WTPZROHAGZSYTQ-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-15(24-10-20-11)12-5-7-13(8-6-12)18(2)17(23)21-16(22-18)14-4-3-9-19-14/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,21,22,23)/t14?,18-/m0/s1.
What are the key properties of (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one?
(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one has a molecular weight of 340.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 142572668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).