N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide

C13H16F2N2O3S — CID 119319069

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)C1CSCN1
InChIInChI=1S/C13H16F2N2O3S/c14-10-2-1-9(3-11(10)15)20-5-8(18)4-16-13(19)12-6-21-7-17-12/h1-3,8,12,17-18H,4-7H2,(H,16,19)
InChIKeyIIXKDEBGXJOJSG-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.48
Rot. Bonds6

About N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119319069) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119319069
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)C1CSCN1
InChIInChI=1S/C13H16F2N2O3S/c14-10-2-1-9(3-11(10)15)20-5-8(18)4-16-13(19)12-6-21-7-17-12/h1-3,8,12,17-18H,4-7H2,(H,16,19)
InChIKeyIIXKDEBGXJOJSG-UHFFFAOYSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide (CID 119319069) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC(O)COc1ccc(F)c(F)c1)C1CSCN1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IIXKDEBGXJOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c14-10-2-1-9(3-11(10)15)20-5-8(18)4-16-13(19)12-6-21-7-17-12/h1-3,8,12,17-18H,4-7H2,(H,16,19).
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119319069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).