4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C15H18BrClN2S — CID 120558190

IUPAC4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1sc(C2CCNCC2)nc1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H17BrN2S.ClH/c1-10-14(11-2-4-13(16)5-3-11)18-15(19-10)12-6-8-17-9-7-12;/h2-5,12,17H,6-9H2,1H3;1H
InChIKeyOZRCIHPIOACGQR-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.77
Rot. Bonds2

About 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558190) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558190
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC Name4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCc1sc(C2CCNCC2)nc1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H17BrN2S.ClH/c1-10-14(11-2-4-13(16)5-3-11)18-15(19-10)12-6-8-17-9-7-12;/h2-5,12,17H,6-9H2,1H3;1H
InChIKeyOZRCIHPIOACGQR-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558190) is 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cc1sc(C2CCNCC2)nc1-c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is OZRCIHPIOACGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S.ClH/c1-10-14(11-2-4-13(16)5-3-11)18-15(19-10)12-6-8-17-9-7-12;/h2-5,12,17H,6-9H2,1H3;1H.
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 373.75 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).