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

C15H17BrN2S — CID 79838993

IUPAC4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCCCC2)nc1-c1ccccc1Br
InChIInChI=1S/C15H17BrN2S/c1-11-14(12-7-3-4-8-13(12)16)17-15(19-11)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyQNEMJWYPLCOWDR-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.87
Rot. Bonds2

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

4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole (PubChem CID 79838993) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
PubChem CID79838993
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole
SMILESCc1sc(N2CCCCC2)nc1-c1ccccc1Br
InChIInChI=1S/C15H17BrN2S/c1-11-14(12-7-3-4-8-13(12)16)17-15(19-11)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyQNEMJWYPLCOWDR-UHFFFAOYSA-N
XLogP4.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole (CID 79838993) is 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole is Cc1sc(N2CCCCC2)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is QNEMJWYPLCOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-11-14(12-7-3-4-8-13(12)16)17-15(19-11)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole?
4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 337.29 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-methyl-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 79838993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).