4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole

C9H13BrN2S — CID 83693596

IUPAC4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESBrc1csc(CC2CCCCN2)n1
InChIInChI=1S/C9H13BrN2S/c10-8-6-13-9(12-8)5-7-3-1-2-4-11-7/h6-7,11H,1-5H2
InChIKeyMDHJXJYPRGHZLU-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.59
Rot. Bonds2

About 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole

4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole (PubChem CID 83693596) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
PubChem CID83693596
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESBrc1csc(CC2CCCCN2)n1
InChIInChI=1S/C9H13BrN2S/c10-8-6-13-9(12-8)5-7-3-1-2-4-11-7/h6-7,11H,1-5H2
InChIKeyMDHJXJYPRGHZLU-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 115088763
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
4-(5-bromo-2-fluorophenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 82967016
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 115041792
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole (CID 83693596) is 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole is Brc1csc(CC2CCCCN2)n1.
What is the InChIKey of 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is MDHJXJYPRGHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c10-8-6-13-9(12-8)5-7-3-1-2-4-11-7/h6-7,11H,1-5H2.
What are the key properties of 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole?
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 261.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 83693596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).