2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole

C14H15BrN2S — CID 116888718

IUPAC2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
SMILESBrc1ccccc1-c1nc(C2CCCNC2)cs1
InChIInChI=1S/C14H15BrN2S/c15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyOHARVJTUCLNXQQ-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.04
Rot. Bonds2

About 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole

2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole (PubChem CID 116888718) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
PubChem CID116888718
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
SMILESBrc1ccccc1-c1nc(C2CCCNC2)cs1
InChIInChI=1S/C14H15BrN2S/c15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-2,5-6,9-10,16H,3-4,7-8H2
InChIKeyOHARVJTUCLNXQQ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888662
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
5-(2-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79434992
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
4-(2-bromophenyl)-2-cyclohexyl-1,3-thiazole
CID 79831061
4-(2-bromophenyl)-2-cyclooctyl-1,3-thiazole
CID 80611391
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole (CID 116888718) is 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole is Brc1ccccc1-c1nc(C2CCCNC2)cs1.
What is the InChIKey of 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole?
The InChIKey is OHARVJTUCLNXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-2,5-6,9-10,16H,3-4,7-8H2.
What are the key properties of 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole?
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole has a molecular weight of 323.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116888718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).