1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol

C18H25N3O2S — CID 111379088

IUPAC1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C18H25N3O2S/c1-14-19-16(13-24-14)11-20-6-8-21(9-7-20)12-18(22)15-4-3-5-17(10-15)23-2/h3-5,10,13,18,22H,6-9,11-12H2,1-2H3
InChIKeyUZBBBRBUIXXAFM-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.31
Rot. Bonds6

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

1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 111379088) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID111379088
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCN(Cc3csc(C)n3)CC2)c1
InChIInChI=1S/C18H25N3O2S/c1-14-19-16(13-24-14)11-20-6-8-21(9-7-20)12-18(22)15-4-3-5-17(10-15)23-2/h3-5,10,13,18,22H,6-9,11-12H2,1-2H3
InChIKeyUZBBBRBUIXXAFM-UHFFFAOYSA-N
XLogP2.31
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(3-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 98764226
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111764210

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 111379088) is 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol is COc1cccc(C(O)CN2CCN(Cc3csc(C)n3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is UZBBBRBUIXXAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-19-16(13-24-14)11-20-6-8-21(9-7-20)12-18(22)15-4-3-5-17(10-15)23-2/h3-5,10,13,18,22H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol?
1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 347.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 111379088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).