[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

C15H20N2O3S — CID 154580821

IUPAC[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCOc1ccc(OC)c2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C15H20N2O3S/c1-19-11-5-6-12(20-2)14-13(11)16-15(21-14)17-7-3-4-10(8-17)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyJMODEHYEKACWMC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.52
Rot. Bonds4

About [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 154580821) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
PubChem CID154580821
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCOc1ccc(OC)c2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C15H20N2O3S/c1-19-11-5-6-12(20-2)14-13(11)16-15(21-14)17-7-3-4-10(8-17)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3
InChIKeyJMODEHYEKACWMC-UHFFFAOYSA-N
XLogP2.52
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154575671
[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 146074445
4,7-dimethoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171704465
N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 166606098
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171705298
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903711
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
4,7-dimethoxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081718
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976420
4,7-dimethoxy-2-(4-thiomorpholin-4-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171335848

Frequently Asked Questions

What is the IUPAC name of [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (CID 154580821) is [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is COc1ccc(OC)c2sc(N3CCCC(CO)C3)nc12.
What is the InChIKey of [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is JMODEHYEKACWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-19-11-5-6-12(20-2)14-13(11)16-15(21-14)17-7-3-4-10(8-17)9-18/h5-6,10,18H,3-4,7-9H2,1-2H3.
What are the key properties of [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 308.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 154580821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).