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

C13H17BrN2O3S — CID 124568138

IUPAC(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CSCN1
InChIInChI=1S/C13H17BrN2O3S/c14-10-3-1-2-4-12(10)19-6-9(17)5-15-13(18)11-7-20-8-16-11/h1-4,9,11,16-17H,5-8H2,(H,15,18)/t9-,11+/m1/s1
InChIKeyXMVLDLDKHFRDFS-KOLCDFICSA-N
MW361.26 g/mol
LogP0.97
Rot. Bonds6

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

(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124568138) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124568138
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CSCN1
InChIInChI=1S/C13H17BrN2O3S/c14-10-3-1-2-4-12(10)19-6-9(17)5-15-13(18)11-7-20-8-16-11/h1-4,9,11,16-17H,5-8H2,(H,15,18)/t9-,11+/m1/s1
InChIKeyXMVLDLDKHFRDFS-KOLCDFICSA-N
XLogP0.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

3-[3-(2-Bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 3809697
1-(2-Bromophenoxy)-3-(3-ethylsulfanylpropylamino)propan-2-ol
CID 12439415
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56801845
N-[(2R)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 95598382
N-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 95598383
(2S)-2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 119305002
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
CID 119319069
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]-methylamino]-N-propan-2-ylacetamide
CID 51111125
3-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1393584
3-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1393585
2-[[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-methylamino]-N-propan-2-ylacetamide
CID 32531031
2-[[(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-methylamino]-N-propan-2-ylacetamide
CID 32531038

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide (CID 124568138) is (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide is O=C(NC[C@@H](O)COc1ccccc1Br)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XMVLDLDKHFRDFS-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c14-10-3-1-2-4-12(10)19-6-9(17)5-15-13(18)11-7-20-8-16-11/h1-4,9,11,16-17H,5-8H2,(H,15,18)/t9-,11+/m1/s1.
What are the key properties of (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124568138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).