[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C18H23N3O2S — CID 56820669

IUPAC[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3scnc3C)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)18(22)21-11-9-20(10-12-21)8-7-15-3-5-16(23-2)6-4-15/h3-6,13H,7-12H2,1-2H3
InChIKeyQDFPMXHRQFOEQB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.46
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 56820669) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID56820669
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3scnc3C)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)18(22)21-11-9-20(10-12-21)8-7-15-3-5-16(23-2)6-4-15/h3-6,13H,7-12H2,1-2H3
InChIKeyQDFPMXHRQFOEQB-UHFFFAOYSA-N
XLogP2.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 56820669) is [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is COc1ccc(CCN2CCN(C(=O)c3scnc3C)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is QDFPMXHRQFOEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)18(22)21-11-9-20(10-12-21)8-7-15-3-5-16(23-2)6-4-15/h3-6,13H,7-12H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56820669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).