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

C19H27N3O2S — CID 146128587

IUPAC2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(OCc2nc(CN3CCN(CCO)C(C)C3)cs2)cc1
InChIInChI=1S/C19H27N3O2S/c1-15-3-5-18(6-4-15)24-13-19-20-17(14-25-19)12-21-7-8-22(9-10-23)16(2)11-21/h3-6,14,16,23H,7-13H2,1-2H3
InChIKeyRBJOETVJTNZLMV-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.53
Rot. Bonds7

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

2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 146128587) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID146128587
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(OCc2nc(CN3CCN(CCO)C(C)C3)cs2)cc1
InChIInChI=1S/C19H27N3O2S/c1-15-3-5-18(6-4-15)24-13-19-20-17(14-25-19)12-21-7-8-22(9-10-23)16(2)11-21/h3-6,14,16,23H,7-13H2,1-2H3
InChIKeyRBJOETVJTNZLMV-UHFFFAOYSA-N
XLogP2.53
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909032
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethanone
CID 122140450
4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
CID 120907679
2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66387478
4-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 95332203
1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
CID 75511141
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(1,3-oxazolidin-3-yl)ethanone
CID 126816930
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31612187
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 51535285
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 46653685

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol (CID 146128587) is 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol is Cc1ccc(OCc2nc(CN3CCN(CCO)C(C)C3)cs2)cc1.
What is the InChIKey of 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is RBJOETVJTNZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-15-3-5-18(6-4-15)24-13-19-20-17(14-25-19)12-21-7-8-22(9-10-23)16(2)11-21/h3-6,14,16,23H,7-13H2,1-2H3.
What are the key properties of 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol?
2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 361.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 146128587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).