(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid

C9H9BrN2O4S — CID 102944552

IUPAC(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ncc(Br)s1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C9H9BrN2O4S/c10-6-3-11-9(17-6)12-7(13)4-1-2-5(16-4)8(14)15/h3-5H,1-2H2,(H,14,15)(H,11,12,13)/t4-,5+/m0/s1
InChIKeyOUAJPWVGKIJDIN-CRCLSJGQSA-N
MW321.15 g/mol
LogP1.48
Rot. Bonds3

About (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944552) has the molecular formula C9H9BrN2O4S and a molecular weight of 321.15 g/mol. Its IUPAC name is (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944552
Molecular FormulaC9H9BrN2O4S
Molecular Weight321.15 g/mol
Exact Mass319.95
IUPAC Name(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(Nc1ncc(Br)s1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C9H9BrN2O4S/c10-6-3-11-9(17-6)12-7(13)4-1-2-5(16-4)8(14)15/h3-5H,1-2H2,(H,14,15)(H,11,12,13)/t4-,5+/m0/s1
InChIKeyOUAJPWVGKIJDIN-CRCLSJGQSA-N
XLogP1.48
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102689028
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
5-[(3-bromo-4-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688823
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
5-(1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102687647

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102944552) is (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is O=C(Nc1ncc(Br)s1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is OUAJPWVGKIJDIN-CRCLSJGQSA-N. The full InChI is InChI=1S/C9H9BrN2O4S/c10-6-3-11-9(17-6)12-7(13)4-1-2-5(16-4)8(14)15/h3-5H,1-2H2,(H,14,15)(H,11,12,13)/t4-,5+/m0/s1.
What are the key properties of (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 321.15 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).