4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride

C15H18BrClN2S — CID 71319325

IUPAC4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1.Cl
InChIInChI=1S/C15H17BrN2S.ClH/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyCRUGVNSHHSJEPH-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.80
Rot. Bonds2

About 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride

4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride (PubChem CID 71319325) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
PubChem CID71319325
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC Name4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
SMILESCN1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1.Cl
InChIInChI=1S/C15H17BrN2S.ClH/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9H2,1H3;1H
InChIKeyCRUGVNSHHSJEPH-UHFFFAOYSA-N
XLogP4.80
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327
4-(4-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole
CID 79832012
4-(4-bromophenyl)-2-(2,2-dimethylcyclopropyl)-1,3-thiazole
CID 107924759
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
1-[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893123
4-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]aniline
CID 115998354
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
2-[1-[4-(4-cyclohexyl-1,3-thiazol-2-yl)piperidin-1-yl]piperidin-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 90919508
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride (CID 71319325) is 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride is CN1CCC(c2nc(-c3ccc(Br)cc3)cs2)CC1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
The InChIKey is CRUGVNSHHSJEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S.ClH/c1-18-8-6-12(7-9-18)15-17-14(10-19-15)11-2-4-13(16)5-3-11;/h2-5,10,12H,6-9H2,1H3;1H.
What are the key properties of 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride?
4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride has a molecular weight of 373.75 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71319325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).