1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol

C14H18N2O2S — CID 171324124

IUPAC1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol
SMILESCCOc1cccc2sc(N3CCCC(O)C3)nc12
InChIInChI=1S/C14H18N2O2S/c1-2-18-11-6-3-7-12-13(11)15-14(19-12)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyYGLIKBZYEWXSTE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol

1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol (PubChem CID 171324124) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol
PubChem CID171324124
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol
SMILESCCOc1cccc2sc(N3CCCC(O)C3)nc12
InChIInChI=1S/C14H18N2O2S/c1-2-18-11-6-3-7-12-13(11)15-14(19-12)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9H2,1H3
InChIKeyYGLIKBZYEWXSTE-UHFFFAOYSA-N
XLogP2.66
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154575671
1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol
CID 154883454
4,7-dichloro-2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941368
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
4-ethoxy-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081648
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 41116220
3-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 171690635
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
2-[4-(benzenesulfonyl)piperazin-1-yl]-4-ethoxy-1,3-benzothiazole
CID 16936927
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol?
The IUPAC name of 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol (CID 171324124) is 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol is CCOc1cccc2sc(N3CCCC(O)C3)nc12.
What is the InChIKey of 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol?
The InChIKey is YGLIKBZYEWXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-18-11-6-3-7-12-13(11)15-14(19-12)16-8-4-5-10(17)9-16/h3,6-7,10,17H,2,4-5,8-9H2,1H3.
What are the key properties of 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol?
1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol has a molecular weight of 278.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-ol is sourced from PubChem (CID 171324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).