4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide

C15H19BrN2OS — CID 86811785

IUPAC4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccccc1-c1csc(C2CCCNC2)n1
InChIInChI=1S/C15H18N2OS.BrH/c1-18-14-7-3-2-6-12(14)13-10-19-15(17-13)11-5-4-8-16-9-11;/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;1H
InChIKeyNXFJFCYQTUGYLO-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.86
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide

4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide (PubChem CID 86811785) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide
PubChem CID86811785
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccccc1-c1csc(C2CCCNC2)n1
InChIInChI=1S/C15H18N2OS.BrH/c1-18-14-7-3-2-6-12(14)13-10-19-15(17-13)11-5-4-8-16-9-11;/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;1H
InChIKeyNXFJFCYQTUGYLO-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide (CID 86811785) is 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide is Br.COc1ccccc1-c1csc(C2CCCNC2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide?
The InChIKey is NXFJFCYQTUGYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.BrH/c1-18-14-7-3-2-6-12(14)13-10-19-15(17-13)11-5-4-8-16-9-11;/h2-3,6-7,10-11,16H,4-5,8-9H2,1H3;1H.
What are the key properties of 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide?
4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide has a molecular weight of 355.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-piperidin-3-yl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 86811785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).