(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one

C17H26FN3O2S — CID 129324954

IUPAC(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC[C@@H]2CCOC2=O)cs1
InChIInChI=1S/C17H26FN3O2S/c1-12-19-15(11-24-12)9-21-8-14(18)7-16(21)10-20(2)5-3-13-4-6-23-17(13)22/h11,13-14,16H,3-10H2,1-2H3/t13-,14+,16+/m1/s1
InChIKeyUHHVJCFGYWPPKX-YCPHGPKFSA-N
MW355.48 g/mol
LogP2.25
Rot. Bonds7

About (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one

(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one (PubChem CID 129324954) has the molecular formula C17H26FN3O2S and a molecular weight of 355.48 g/mol. Its IUPAC name is (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
PubChem CID129324954
Molecular FormulaC17H26FN3O2S
Molecular Weight355.48 g/mol
Exact Mass355.17
IUPAC Name(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC[C@@H]2CCOC2=O)cs1
InChIInChI=1S/C17H26FN3O2S/c1-12-19-15(11-24-12)9-21-8-14(18)7-16(21)10-20(2)5-3-13-4-6-23-17(13)22/h11,13-14,16H,3-10H2,1-2H3/t13-,14+,16+/m1/s1
InChIKeyUHHVJCFGYWPPKX-YCPHGPKFSA-N
XLogP2.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 51078856
3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]oxolan-2-one
CID 128972941
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(5-oxooxolan-3-yl)acetamide
CID 128991461
(3R)-3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]oxolan-2-one
CID 129324794
(3S)-3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]oxolan-2-one
CID 129324795
(3S)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one
CID 129324953
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-[(3R)-5-oxooxolan-3-yl]acetamide
CID 129536367
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-[(3S)-5-oxooxolan-3-yl]acetamide
CID 129536368
7-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155832761
Ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N-methyl-2-[(3R)-2-oxooxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide;molecular hydrogen
CID 145137078
Ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 47021493

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one?
The IUPAC name of (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one (CID 129324954) is (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC[C@@H]2CCOC2=O)cs1.
What is the InChIKey of (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one?
The InChIKey is UHHVJCFGYWPPKX-YCPHGPKFSA-N. The full InChI is InChI=1S/C17H26FN3O2S/c1-12-19-15(11-24-12)9-21-8-14(18)7-16(21)10-20(2)5-3-13-4-6-23-17(13)22/h11,13-14,16H,3-10H2,1-2H3/t13-,14+,16+/m1/s1.
What are the key properties of (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one?
(3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]ethyl]oxolan-2-one is sourced from PubChem (CID 129324954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).