2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol

C18H22N4OS — CID 51104601

IUPAC2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C18H22N4OS/c23-12-11-22-16(5-8-19-22)14-6-9-21(10-7-14)13-18-20-15-3-1-2-4-17(15)24-18/h1-5,8,14,23H,6-7,9-13H2
InChIKeyMYMZAUNQRJCSQA-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.86
Rot. Bonds5

About 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 51104601) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID51104601
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C18H22N4OS/c23-12-11-22-16(5-8-19-22)14-6-9-21(10-7-14)13-18-20-15-3-1-2-4-17(15)24-18/h1-5,8,14,23H,6-7,9-13H2
InChIKeyMYMZAUNQRJCSQA-UHFFFAOYSA-N
XLogP2.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432836
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 138381620
2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 133372022
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
2-[(4-pyridin-2-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridine
CID 10425517
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383
2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol (CID 51104601) is 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is MYMZAUNQRJCSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-12-11-22-16(5-8-19-22)14-6-9-21(10-7-14)13-18-20-15-3-1-2-4-17(15)24-18/h1-5,8,14,23H,6-7,9-13H2.
What are the key properties of 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 342.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 51104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).