2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole

C9H13BrN2S — CID 115048783

IUPAC2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
SMILESCc1sc(Br)nc1C1CCCNC1
InChIInChI=1S/C9H13BrN2S/c1-6-8(12-9(10)13-6)7-3-2-4-11-5-7/h7,11H,2-5H2,1H3
InChIKeyPRYIMINPGLYXEY-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.68
Rot. Bonds1

About 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole

2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole (PubChem CID 115048783) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
PubChem CID115048783
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
SMILESCc1sc(Br)nc1C1CCCNC1
InChIInChI=1S/C9H13BrN2S/c1-6-8(12-9(10)13-6)7-3-2-4-11-5-7/h7,11H,2-5H2,1H3
InChIKeyPRYIMINPGLYXEY-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
5-bromo-4-piperidin-3-ylthiadiazole
CID 84706462
2-cyclobutyl-4-methyl-5-piperidin-3-yl-1,3-thiazole
CID 116885135
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271
6-bromo-3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115053243
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
2-(azetidin-3-yl)-4-cyclopropyl-5-methyl-1,3-thiazole
CID 105448610
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
6-ethyl-5-methyl-4-piperidin-3-yl-1H-pyrimidin-2-one
CID 83849709
5-methyl-3-methylsulfanyl-6-piperidin-3-yl-1,2,4-triazine
CID 83839530
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
4-(4-ethylphenyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
CID 62540371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole (CID 115048783) is 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole is Cc1sc(Br)nc1C1CCCNC1.
What is the InChIKey of 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole?
The InChIKey is PRYIMINPGLYXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-8(12-9(10)13-6)7-3-2-4-11-5-7/h7,11H,2-5H2,1H3.
What are the key properties of 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole?
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole has a molecular weight of 261.19 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115048783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).