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

C11H15N3OS — CID 43450606

IUPAC2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol
SMILESCc1nc2cc(N(C)CCO)c(N)cc2s1
InChIInChI=1S/C11H15N3OS/c1-7-13-9-6-10(14(2)3-4-15)8(12)5-11(9)16-7/h5-6,15H,3-4,12H2,1-2H3
InChIKeyBKJSIMKDZFSEFJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.62
Rot. Bonds3

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

2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol (PubChem CID 43450606) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol
PubChem CID43450606
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol
SMILESCc1nc2cc(N(C)CCO)c(N)cc2s1
InChIInChI=1S/C11H15N3OS/c1-7-13-9-6-10(14(2)3-4-15)8(12)5-11(9)16-7/h5-6,15H,3-4,12H2,1-2H3
InChIKeyBKJSIMKDZFSEFJ-UHFFFAOYSA-N
XLogP1.62
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.62
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-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol (CID 43450606) is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol is Cc1nc2cc(N(C)CCO)c(N)cc2s1.
What is the InChIKey of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol?
The InChIKey is BKJSIMKDZFSEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-13-9-6-10(14(2)3-4-15)8(12)5-11(9)16-7/h5-6,15H,3-4,12H2,1-2H3.
What are the key properties of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol?
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol has a molecular weight of 237.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)-methylamino]ethanol is sourced from PubChem (CID 43450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).