1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone

C15H16BrN3OS — CID 82956334

IUPAC1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H16BrN3OS/c1-11(20)13-3-2-12(16)10-14(13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyQMRZUTUELUPQSG-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.43
Rot. Bonds3

About 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone

1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone (PubChem CID 82956334) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
PubChem CID82956334
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H16BrN3OS/c1-11(20)13-3-2-12(16)10-14(13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyQMRZUTUELUPQSG-UHFFFAOYSA-N
XLogP3.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzenecarbothioamide
CID 114891210
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639
2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
CID 63783031
[5-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]methanamine
CID 114889471
2-bromo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 114888036
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
1-[4-bromo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanone
CID 82954763
1-[2-(3-azaspiro[5.5]undecan-3-yl)-4-bromophenyl]ethanone
CID 82954204
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
1-[4-bromo-2-(3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanone
CID 114410216
methyl 5-nitro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoate
CID 36597297

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone (CID 82956334) is 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(Br)cc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is QMRZUTUELUPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-11(20)13-3-2-12(16)10-14(13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone?
1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 366.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 82956334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).