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

C18H23N3O2S — CID 84584387

IUPAC(2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20-9-11-21(12-10-20)18(22)15-5-3-4-6-16(15)23-2/h3-6,13H,7-12H2,1-2H3
InChIKeyDSUVYXRRLRRBBS-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.46
Rot. Bonds5

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

(2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 84584387) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone
PubChem CID84584387
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20-9-11-21(12-10-20)18(22)15-5-3-4-6-16(15)23-2/h3-6,13H,7-12H2,1-2H3
InChIKeyDSUVYXRRLRRBBS-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 (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone (CID 84584387) is (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(CCc2scnc2C)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is DSUVYXRRLRRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-17(24-13-19-14)7-8-20-9-11-21(12-10-20)18(22)15-5-3-4-6-16(15)23-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-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 (2-methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 84584387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).