4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

C16H16BrN3O2S — CID 134161279

IUPAC4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(CCc1ccccc1Br)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C16H16BrN3O2S/c17-13-4-2-1-3-12(13)5-6-14(21)19-8-9-20(15(22)11-19)16-18-7-10-23-16/h1-4,7,10H,5-6,8-9,11H2
InChIKeyFCJYNKWJCPMXRF-UHFFFAOYSA-N
MW394.29 g/mol
LogP2.71
Rot. Bonds4

About 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one

4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 134161279) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID134161279
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC Name4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(CCc1ccccc1Br)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C16H16BrN3O2S/c17-13-4-2-1-3-12(13)5-6-14(21)19-8-9-20(15(22)11-19)16-18-7-10-23-16/h1-4,7,10H,5-6,8-9,11H2
InChIKeyFCJYNKWJCPMXRF-UHFFFAOYSA-N
XLogP2.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627522
3-naphthalen-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 150587390
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150437
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
3-(2-bromophenyl)-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propan-1-one
CID 121190953
3-(2-bromophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 71940123
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
3-(2-bromophenyl)-1-[3-(pyrazin-2-ylamino)azetidin-1-yl]propan-1-one
CID 131703833
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 134160669
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 134161279) is 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is O=C(CCc1ccccc1Br)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is FCJYNKWJCPMXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c17-13-4-2-1-3-12(13)5-6-14(21)19-8-9-20(15(22)11-19)16-18-7-10-23-16/h1-4,7,10H,5-6,8-9,11H2.
What are the key properties of 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one?
4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 394.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 134161279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).