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

C16H21N3O2S — CID 3078055

IUPAC2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol
SMILESCc1ncsc1OCCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H21N3O2S/c1-13-16(22-12-17-13)21-11-10-18-6-8-19(9-7-18)14-4-2-3-5-15(14)20/h2-5,12,20H,6-11H2,1H3
InChIKeyBYGJALMSFSOYMD-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.36
Rot. Bonds5

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

2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol (PubChem CID 3078055) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol
PubChem CID3078055
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol
SMILESCc1ncsc1OCCN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C16H21N3O2S/c1-13-16(22-12-17-13)21-11-10-18-6-8-19(9-7-18)14-4-2-3-5-15(14)20/h2-5,12,20H,6-11H2,1H3
InChIKeyBYGJALMSFSOYMD-UHFFFAOYSA-N
XLogP2.36
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol (CID 3078055) is 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol is Cc1ncsc1OCCN1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol?
The InChIKey is BYGJALMSFSOYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13-16(22-12-17-13)21-11-10-18-6-8-19(9-7-18)14-4-2-3-5-15(14)20/h2-5,12,20H,6-11H2,1H3.
What are the key properties of 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol?
2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol has a molecular weight of 319.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 3078055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).