(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

C19H20N4OS — CID 97042055

IUPAC(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@H](n2ccnc2-c2nc(-c3ccccc3)cs2)CC1=O
InChIInChI=1S/C19H20N4OS/c1-13(2)23-11-15(10-17(23)24)22-9-8-20-18(22)19-21-16(12-25-19)14-6-4-3-5-7-14/h3-9,12-13,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHXDUZGZBXICSBS-OAHLLOKOSA-N
MW352.46 g/mol
LogP3.86
Rot. Bonds4

About (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 97042055) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID97042055
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@H](n2ccnc2-c2nc(-c3ccccc3)cs2)CC1=O
InChIInChI=1S/C19H20N4OS/c1-13(2)23-11-15(10-17(23)24)22-9-8-20-18(22)19-21-16(12-25-19)14-6-4-3-5-7-14/h3-9,12-13,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyHXDUZGZBXICSBS-OAHLLOKOSA-N
XLogP3.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 96581489
4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
CID 10318180
3-[(4-phenyl-1,3-thiazol-2-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 133388009
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108756827
(2S)-2-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]propanamide
CID 56880216
5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108770960
1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108751465
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
4-(4,5-diphenyl-1H-imidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 45232139
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 9351117
4-[2-(furan-2-yl)imidazol-1-yl]-1-phenylpyrrolidin-2-one
CID 156587008

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 97042055) is (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@H](n2ccnc2-c2nc(-c3ccccc3)cs2)CC1=O.
What is the InChIKey of (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is HXDUZGZBXICSBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13(2)23-11-15(10-17(23)24)22-9-8-20-18(22)19-21-16(12-25-19)14-6-4-3-5-7-14/h3-9,12-13,15H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 97042055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).