4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid

C9H11BrN2O3S — CID 67414811

IUPAC4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrN2O3S/c10-6-5-16-7(11-6)9(15)1-3-12(4-2-9)8(13)14/h5,15H,1-4H2,(H,13,14)
InChIKeyMOZXVVJNIZGHIK-UHFFFAOYSA-N
MW307.17 g/mol
LogP1.87
Rot. Bonds1

About 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid

4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 67414811) 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)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID67414811
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(O)(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H11BrN2O3S/c10-6-5-16-7(11-6)9(15)1-3-12(4-2-9)8(13)14/h5,15H,1-4H2,(H,13,14)
InChIKeyMOZXVVJNIZGHIK-UHFFFAOYSA-N
XLogP1.87
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-fluoropiperidine-1-carboxylate
CID 66749859
4-(4-Bromo-1,3-thiazol-2-yl)-4-fluoropiperidine-1-carboxylic acid
CID 67415106
4-(4-Bromo-1,3-thiazol-2-yl)-4-piperidinol trifluoroacetate
CID 121349428
[4-(4-Bromo-1,3-thiazol-2-yl)-4-hydroxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 140718335
4-(4-Bromo-1,3-thiazol-2-yl)-1-methylpiperidin-4-ol
CID 58433128
Tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate
CID 66749307
4-(4-Bromo-1,3-thiazol-2-yl)-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
CID 66749985
1-Amino-4-(4-bromo-1,3-thiazol-2-yl)piperidin-4-ol
CID 89785378
4-(4-Bromo-1,3-thiazol-2-yl)piperidin-4-ol
CID 114684155
4-(4-Bromo-1,3-thiazol-2-yl)-1-tert-butylpiperidin-4-ol
CID 118075573
4-(4-Bromo-1,3-thiazol-2-yl)-1-but-3-enylpiperidin-4-ol
CID 123702682
4-Hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 145536313

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid (CID 67414811) is 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid is O=C(O)N1CCC(O)(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is MOZXVVJNIZGHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c10-6-5-16-7(11-6)9(15)1-3-12(4-2-9)8(13)14/h5,15H,1-4H2,(H,13,14).
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid?
4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 307.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 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)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67414811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).