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

C17H23N3OS — CID 3021503

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C17H23N3OS/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2/h3-6,13H,7-12H2,1-2H3
InChIKeyURGHPTPTMATLBV-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.82
Rot. Bonds5

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

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 3021503) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID3021503
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C17H23N3OS/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2/h3-6,13H,7-12H2,1-2H3
InChIKeyURGHPTPTMATLBV-UHFFFAOYSA-N
XLogP2.82
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole (CID 3021503) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is COc1ccccc1N1CCN(CCc2scnc2C)CC1.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is URGHPTPTMATLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 3021503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).