2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol

C15H21N3OS — CID 43450408

IUPAC2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol
SMILESCc1nc2cc(N3CCCCC3CCO)c(N)cc2s1
InChIInChI=1S/C15H21N3OS/c1-10-17-13-9-14(12(16)8-15(13)20-10)18-6-3-2-4-11(18)5-7-19/h8-9,11,19H,2-7,16H2,1H3
InChIKeyYWLFKOMYBDEADC-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds3

About 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol

2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 43450408) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol
PubChem CID43450408
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol
SMILESCc1nc2cc(N3CCCCC3CCO)c(N)cc2s1
InChIInChI=1S/C15H21N3OS/c1-10-17-13-9-14(12(16)8-15(13)20-10)18-6-3-2-4-11(18)5-7-19/h8-9,11,19H,2-7,16H2,1H3
InChIKeyYWLFKOMYBDEADC-UHFFFAOYSA-N
XLogP2.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol (CID 43450408) is 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol is Cc1nc2cc(N3CCCCC3CCO)c(N)cc2s1.
What is the InChIKey of 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is YWLFKOMYBDEADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-17-13-9-14(12(16)8-15(13)20-10)18-6-3-2-4-11(18)5-7-19/h8-9,11,19H,2-7,16H2,1H3.
What are the key properties of 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 291.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-2-methyl-1,3-benzothiazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 43450408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).