[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol

C21H24N2O2S — CID 66835897

IUPAC[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol
SMILESCN1CCC(OC(c2cccc(CO)c2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H24N2O2S/c1-23-11-9-17(10-12-23)25-20(16-6-4-5-15(13-16)14-24)21-22-18-7-2-3-8-19(18)26-21/h2-8,13,17,20,24H,9-12,14H2,1H3
InChIKeyNMCZRKBKBCRTQN-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.99
Rot. Bonds5

About [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol

[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol (PubChem CID 66835897) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol
PubChem CID66835897
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol
SMILESCN1CCC(OC(c2cccc(CO)c2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H24N2O2S/c1-23-11-9-17(10-12-23)25-20(16-6-4-5-15(13-16)14-24)21-22-18-7-2-3-8-19(18)26-21/h2-8,13,17,20,24H,9-12,14H2,1H3
InChIKeyNMCZRKBKBCRTQN-UHFFFAOYSA-N
XLogP3.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol?
The IUPAC name of [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol (CID 66835897) is [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol.
What is the SMILES notation for [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol?
The canonical SMILES for [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol is CN1CCC(OC(c2cccc(CO)c2)c2nc3ccccc3s2)CC1.
What is the InChIKey of [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol?
The InChIKey is NMCZRKBKBCRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-23-11-9-17(10-12-23)25-20(16-6-4-5-15(13-16)14-24)21-22-18-7-2-3-8-19(18)26-21/h2-8,13,17,20,24H,9-12,14H2,1H3.
What are the key properties of [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol?
[3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol has a molecular weight of 368.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,3-benzothiazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methanol is sourced from PubChem (CID 66835897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).