1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

C17H20N2O2S — CID 94819626

IUPAC1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCOC[C@@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C17H20N2O2S/c1-12(10-21-2)17-18-15(11-22-17)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyYICSMJKGAVOABD-GFCCVEGCSA-N
MW316.43 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one

1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (PubChem CID 94819626) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
PubChem CID94819626
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
SMILESCOC[C@@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1
InChIInChI=1S/C17H20N2O2S/c1-12(10-21-2)17-18-15(11-22-17)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyYICSMJKGAVOABD-GFCCVEGCSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-morpholin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 154746717
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97103499
1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546575
1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one (CID 94819626) is 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is COC[C@@H](C)c1nc(-c2ccc(N3CCCC3=O)cc2)cs1.
What is the InChIKey of 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
The InChIKey is YICSMJKGAVOABD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(10-21-2)17-18-15(11-22-17)13-5-7-14(8-6-13)19-9-3-4-16(19)20/h5-8,11-12H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one?
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 94819626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).