4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid

C9H11BrN2O3S — CID 67609352

IUPAC4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrN2O3S/c10-7-5-16-8(11-7)15-6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyFNOLNFDWOPJKRX-UHFFFAOYSA-N
MW307.17 g/mol
LogP2.43
Rot. Bonds2

About 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid

4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid (PubChem CID 67609352) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid
PubChem CID67609352
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrN2O3S/c10-7-5-16-8(11-7)15-6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKeyFNOLNFDWOPJKRX-UHFFFAOYSA-N
XLogP2.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid (CID 67609352) is 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2nc(Br)cs2)CC1.
What is the InChIKey of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid?
The InChIKey is FNOLNFDWOPJKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c10-7-5-16-8(11-7)15-6-1-3-12(4-2-6)9(13)14/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid?
4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid has a molecular weight of 307.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 67609352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).