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

C10H13BrN2O3S — CID 67607273

IUPAC4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2nc(Br)cs2)CC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-6-17-9(12-8)16-5-7-1-3-13(4-2-7)10(14)15/h6-7H,1-5H2,(H,14,15)
InChIKeyHAIIZFCYZOJYDK-UHFFFAOYSA-N
MW321.20 g/mol
LogP2.67
Rot. Bonds3

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

4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid (PubChem CID 67607273) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid
PubChem CID67607273
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2nc(Br)cs2)CC1
InChIInChI=1S/C10H13BrN2O3S/c11-8-6-17-9(12-8)16-5-7-1-3-13(4-2-7)10(14)15/h6-7H,1-5H2,(H,14,15)
InChIKeyHAIIZFCYZOJYDK-UHFFFAOYSA-N
XLogP2.67
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 121256393
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
CID 139832833
4-[(4-cyano-2-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 150205283
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390
4-bromo-2-(2-methoxyethoxy)-1,3-thiazole
CID 79399097
4-[(1,3,4-thiadiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 90746777
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
4-[(5-methyl-4-oxo-3-pyridin-4-ylthieno[2,3-d]pyridazin-7-yl)oxymethyl]piperidine-1-carboxylic acid
CID 90421023
4-[[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 87480296
4-[(2-chloro-3-pyridinyl)sulfanylmethyl]piperidine-1-carboxylic acid
CID 122424400

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid (CID 67607273) is 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(COc2nc(Br)cs2)CC1.
What is the InChIKey of 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is HAIIZFCYZOJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c11-8-6-17-9(12-8)16-5-7-1-3-13(4-2-7)10(14)15/h6-7H,1-5H2,(H,14,15).
What are the key properties of 4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid?
4-[(4-bromo-1,3-thiazol-2-yl)oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 321.20 g/mol, XLogP of 2.67, 3 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)oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67607273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).