1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol

C15H17BrN2OS — CID 33186793

IUPAC1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1
InChIInChI=1S/C15H17BrN2OS/c16-12-3-1-2-11(8-12)15-17-13(10-20-15)9-18-6-4-14(19)5-7-18/h1-3,8,10,14,19H,4-7,9H2
InChIKeyGNLQKUKQSIFPBV-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.53
Rot. Bonds3

About 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol

1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol (PubChem CID 33186793) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
PubChem CID33186793
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1
InChIInChI=1S/C15H17BrN2OS/c16-12-3-1-2-11(8-12)15-17-13(10-20-15)9-18-6-4-14(19)5-7-18/h1-3,8,10,14,19H,4-7,9H2
InChIKeyGNLQKUKQSIFPBV-UHFFFAOYSA-N
XLogP3.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
(3S)-1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 97185843
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
1-[[5-(3-bromophenyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-ol
CID 175876839
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563341
1-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55567637
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol (CID 33186793) is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol is OC1CCN(Cc2csc(-c3cccc(Br)c3)n2)CC1.
What is the InChIKey of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is GNLQKUKQSIFPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c16-12-3-1-2-11(8-12)15-17-13(10-20-15)9-18-6-4-14(19)5-7-18/h1-3,8,10,14,19H,4-7,9H2.
What are the key properties of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol?
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 353.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 33186793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).