3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C18H23N3O3S — CID 41433862

IUPAC3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3nccs3)CC2)cc(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-23-15-11-14(12-16(13-15)24-2)3-4-17(22)20-6-8-21(9-7-20)18-19-5-10-25-18/h5,10-13H,3-4,6-9H2,1-2H3
InChIKeyWCGALXFZMAVALG-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.44
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 41433862) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID41433862
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCN(c3nccs3)CC2)cc(OC)c1
InChIInChI=1S/C18H23N3O3S/c1-23-15-11-14(12-16(13-15)24-2)3-4-17(22)20-6-8-21(9-7-20)18-19-5-10-25-18/h5,10-13H,3-4,6-9H2,1-2H3
InChIKeyWCGALXFZMAVALG-UHFFFAOYSA-N
XLogP2.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
1-(2-methoxy-5-methylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 18139006
2-fluoro-5-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]benzonitrile
CID 161385484
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
3-(3,5-dimethoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560882
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
3-(3,5-dimethoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708471
3-naphthalen-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 150587390

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 41433862) is 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is COc1cc(CCC(=O)N2CCN(c3nccs3)CC2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is WCGALXFZMAVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-23-15-11-14(12-16(13-15)24-2)3-4-17(22)20-6-8-21(9-7-20)18-19-5-10-25-18/h5,10-13H,3-4,6-9H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 361.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 41433862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).