4-piperidin-3-yl-1,3-thiazole;hydrobromide

C8H13BrN2S — CID 118295102

IUPAC4-piperidin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.c1nc(C2CCCNC2)cs1
InChIInChI=1S/C8H12N2S.BrH/c1-2-7(4-9-3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H
InChIKeyJKVRXMFNLNJDAJ-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.19
Rot. Bonds1

About 4-piperidin-3-yl-1,3-thiazole;hydrobromide

4-piperidin-3-yl-1,3-thiazole;hydrobromide (PubChem CID 118295102) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 4-piperidin-3-yl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-piperidin-3-yl-1,3-thiazole;hydrobromide
PubChem CID118295102
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name4-piperidin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.c1nc(C2CCCNC2)cs1
InChIInChI=1S/C8H12N2S.BrH/c1-2-7(4-9-3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H
InChIKeyJKVRXMFNLNJDAJ-UHFFFAOYSA-N
XLogP2.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117231651
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CID 86328129
2-methyl-5-piperidin-3-ylpyrazine
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2-[2-methyl-6-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazole
CID 125015515
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
5-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 96632228
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-1,3-thiazole;hydrobromide?
The IUPAC name of 4-piperidin-3-yl-1,3-thiazole;hydrobromide (CID 118295102) is 4-piperidin-3-yl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-piperidin-3-yl-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-piperidin-3-yl-1,3-thiazole;hydrobromide is Br.c1nc(C2CCCNC2)cs1.
What is the InChIKey of 4-piperidin-3-yl-1,3-thiazole;hydrobromide?
The InChIKey is JKVRXMFNLNJDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.BrH/c1-2-7(4-9-3-1)8-5-11-6-10-8;/h5-7,9H,1-4H2;1H.
What are the key properties of 4-piperidin-3-yl-1,3-thiazole;hydrobromide?
4-piperidin-3-yl-1,3-thiazole;hydrobromide has a molecular weight of 249.18 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 118295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).