N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C14H16F2N2O4S — CID 95598383

IUPACN-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NC[C@H](O)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O4S/c15-11-2-1-10(3-12(11)16)22-6-9(19)4-17-13(20)5-18-8-23-7-14(18)21/h1-3,9,19H,4-8H2,(H,17,20)/t9-/m0/s1
InChIKeyKHDWCIMXBKDICH-VIFPVBQESA-N
MW346.36 g/mol
LogP0.35
Rot. Bonds7

About N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 95598383) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID95598383
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC NameN-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NC[C@H](O)COc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O4S/c15-11-2-1-10(3-12(11)16)22-6-9(19)4-17-13(20)5-18-8-23-7-14(18)21/h1-3,9,19H,4-8H2,(H,17,20)/t9-/m0/s1
InChIKeyKHDWCIMXBKDICH-VIFPVBQESA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 95598383) is N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NC[C@H](O)COc1ccc(F)c(F)c1.
What is the InChIKey of N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is KHDWCIMXBKDICH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c15-11-2-1-10(3-12(11)16)22-6-9(19)4-17-13(20)5-18-8-23-7-14(18)21/h1-3,9,19H,4-8H2,(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 95598383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).