2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C16H18F2N2O2S — CID 124512436

IUPAC2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C([C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C16H18F2N2O2S/c17-12-4-3-11(7-13(12)18)8-15(21)20-10-23-9-14(20)16(22)19-5-1-2-6-19/h3-4,7,14H,1-2,5-6,8-10H2/t14-/m1/s1
InChIKeyKIAFQLNBPRFKSV-CQSZACIVSA-N
MW340.40 g/mol
LogP2.03
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 124512436) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID124512436
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C([C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1)N1CCCC1
InChIInChI=1S/C16H18F2N2O2S/c17-12-4-3-11(7-13(12)18)8-15(21)20-10-23-9-14(20)16(22)19-5-1-2-6-19/h3-4,7,14H,1-2,5-6,8-10H2/t14-/m1/s1
InChIKeyKIAFQLNBPRFKSV-CQSZACIVSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 124512436) is 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is O=C([C@H]1CSCN1C(=O)Cc1ccc(F)c(F)c1)N1CCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is KIAFQLNBPRFKSV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c17-12-4-3-11(7-13(12)18)8-15(21)20-10-23-9-14(20)16(22)19-5-1-2-6-19/h3-4,7,14H,1-2,5-6,8-10H2/t14-/m1/s1.
What are the key properties of 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 124512436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).