6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine

C12H16N2OS — CID 82548663

IUPAC6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
SMILESCCOc1cc(C)c2nc(NC)sc2c1C
InChIInChI=1S/C12H16N2OS/c1-5-15-9-6-7(2)10-11(8(9)3)16-12(13-4)14-10/h6H,5H2,1-4H3,(H,13,14)
InChIKeyGLZXCVPBETULCY-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.35
Rot. Bonds3

About 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine

6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine (PubChem CID 82548663) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
PubChem CID82548663
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
SMILESCCOc1cc(C)c2nc(NC)sc2c1C
InChIInChI=1S/C12H16N2OS/c1-5-15-9-6-7(2)10-11(8(9)3)16-12(13-4)14-10/h6H,5H2,1-4H3,(H,13,14)
InChIKeyGLZXCVPBETULCY-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine (CID 82548663) is 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine is CCOc1cc(C)c2nc(NC)sc2c1C.
What is the InChIKey of 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine?
The InChIKey is GLZXCVPBETULCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-5-15-9-6-7(2)10-11(8(9)3)16-12(13-4)14-10/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine?
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).