2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

C18H23N3O2S — CID 70739238

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-15-19-16(14-24-15)13-18(22)21-9-7-20(8-10-21)11-12-23-17-5-3-2-4-6-17/h2-6,14H,7-13H2,1H3
InChIKeyBIZWJPFXUXJNOU-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 70739238) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID70739238
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-15-19-16(14-24-15)13-18(22)21-9-7-20(8-10-21)11-12-23-17-5-3-2-4-6-17/h2-6,14H,7-13H2,1H3
InChIKeyBIZWJPFXUXJNOU-UHFFFAOYSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 70739238) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is Cc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BIZWJPFXUXJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-15-19-16(14-24-15)13-18(22)21-9-7-20(8-10-21)11-12-23-17-5-3-2-4-6-17/h2-6,14H,7-13H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 70739238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).