N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C16H19F2N3O2S — CID 52511719

IUPACN-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H19F2N3O2S/c17-13-2-1-12(5-14(13)18)20-4-3-11(7-20)6-19-15(22)8-21-10-24-9-16(21)23/h1-2,5,11H,3-4,6-10H2,(H,19,22)/t11-/m0/s1
InChIKeyXMODNFJZXUUBIG-NSHDSACASA-N
MW355.41 g/mol
LogP1.44
Rot. Bonds5

About N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 52511719) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID52511719
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC NameN-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H19F2N3O2S/c17-13-2-1-12(5-14(13)18)20-4-3-11(7-20)6-19-15(22)8-21-10-24-9-16(21)23/h1-2,5,11H,3-4,6-10H2,(H,19,22)/t11-/m0/s1
InChIKeyXMODNFJZXUUBIG-NSHDSACASA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 100647189
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CID 94812888
(2E,4E)-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]hexa-2,4-dienamide
CID 51093935
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 60591659
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110908059
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 86849174
3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 71884624
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CID 51126571
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 124839917
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 60591263
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 52511719) is N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XMODNFJZXUUBIG-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c17-13-2-1-12(5-14(13)18)20-4-3-11(7-20)6-19-15(22)8-21-10-24-9-16(21)23/h1-2,5,11H,3-4,6-10H2,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 355.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 52511719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).