N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

C16H23FN4O2S — CID 128970636

IUPACN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CN1CCCC1=O
InChIInChI=1S/C16H23FN4O2S/c1-19(16(23)11-20-5-2-3-15(20)22)9-13-7-12(17)8-21(13)10-14-18-4-6-24-14/h4,6,12-13H,2-3,5,7-11H2,1H3/t12-,13-/m0/s1
InChIKeyGHRJMBQYYUFDJZ-STQMWFEESA-N
MW354.45 g/mol
LogP1.14
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 128970636) has the molecular formula C16H23FN4O2S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID128970636
Molecular FormulaC16H23FN4O2S
Molecular Weight354.45 g/mol
Exact Mass354.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CN1CCCC1=O
InChIInChI=1S/C16H23FN4O2S/c1-19(16(23)11-20-5-2-3-15(20)22)9-13-7-12(17)8-21(13)10-14-18-4-6-24-14/h4,6,12-13H,2-3,5,7-11H2,1H3/t12-,13-/m0/s1
InChIKeyGHRJMBQYYUFDJZ-STQMWFEESA-N
XLogP1.14
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
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(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
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N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 137984511
2-[1-(4,4,4-Trifluorobutanoyl)pyrrolidin-2-yl]-1,3-thiazole
CID 90653836
4,4,4-trifluoro-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 100067998
4,4,4-trifluoro-1-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 100067999
4,4-difluoro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 120352548
(3R)-3-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124556485
(3R)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124556486
(3S)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124726578
(3S)-3-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 128970636) is N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)CN1CCCC1=O.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GHRJMBQYYUFDJZ-STQMWFEESA-N. The full InChI is InChI=1S/C16H23FN4O2S/c1-19(16(23)11-20-5-2-3-15(20)22)9-13-7-12(17)8-21(13)10-14-18-4-6-24-14/h4,6,12-13H,2-3,5,7-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 128970636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).