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

C15H17BrN2S — CID 116888824

IUPAC2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESBrc1cccc(-c2nc(CC3CCNCC3)cs2)c1
InChIInChI=1S/C15H17BrN2S/c16-13-3-1-2-12(9-13)15-18-14(10-19-15)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2
InChIKeyIUKCYNBHQROSKJ-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.11
Rot. Bonds3

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

2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 116888824) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID116888824
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESBrc1cccc(-c2nc(CC3CCNCC3)cs2)c1
InChIInChI=1S/C15H17BrN2S/c16-13-3-1-2-12(9-13)15-18-14(10-19-15)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2
InChIKeyIUKCYNBHQROSKJ-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580085
1-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55567637
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 55363994
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole (CID 116888824) is 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole is Brc1cccc(-c2nc(CC3CCNCC3)cs2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is IUKCYNBHQROSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-13-3-1-2-12(9-13)15-18-14(10-19-15)8-11-4-6-17-7-5-11/h1-3,9-11,17H,4-8H2.
What are the key properties of 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole?
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 337.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116888824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).