(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one

C16H18FN3OS — CID 95623597

IUPAC(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
SMILESCc1ncsc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)9-19(2)14-7-8-20(16(14)21)13-6-4-3-5-12(13)17/h3-6,10,14H,7-9H2,1-2H3/t14-/m1/s1
InChIKeyHPTFKKXAXLQWFB-CQSZACIVSA-N
MW319.40 g/mol
LogP2.83
Rot. Bonds4

About (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one

(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one (PubChem CID 95623597) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
PubChem CID95623597
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
SMILESCc1ncsc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)9-19(2)14-7-8-20(16(14)21)13-6-4-3-5-12(13)17/h3-6,10,14H,7-9H2,1-2H3/t14-/m1/s1
InChIKeyHPTFKKXAXLQWFB-CQSZACIVSA-N
XLogP2.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
(3S)-1-(2-fluorophenyl)-3-[methyl-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 95783539
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95623626
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 139015673
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
(3R)-1-(2,6-difluorophenyl)-3-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrrolidin-2-one
CID 97054621
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
CID 56788924
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
CID 119931685

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one (CID 95623597) is (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one is Cc1ncsc1CN(C)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one?
The InChIKey is HPTFKKXAXLQWFB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-11-15(22-10-18-11)9-19(2)14-7-8-20(16(14)21)13-6-4-3-5-12(13)17/h3-6,10,14H,7-9H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one?
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 95623597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).