6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine

C16H25N3OS — CID 65348426

IUPAC6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCC(CC)N(CCOC)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C16H25N3OS/c1-4-13(5-2)19(8-9-20-3)11-12-6-7-14-15(10-12)21-16(17)18-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyZQRNGHZTZOGUTI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.52
Rot. Bonds8

About 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine

6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348426) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID65348426
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCCC(CC)N(CCOC)Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C16H25N3OS/c1-4-13(5-2)19(8-9-20-3)11-12-6-7-14-15(10-12)21-16(17)18-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyZQRNGHZTZOGUTI-UHFFFAOYSA-N
XLogP3.52
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine (CID 65348426) is 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine is CCC(CC)N(CCOC)Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is ZQRNGHZTZOGUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-13(5-2)19(8-9-20-3)11-12-6-7-14-15(10-12)21-16(17)18-14/h6-7,10,13H,4-5,8-9,11H2,1-3H3,(H2,17,18).
What are the key properties of 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine?
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 307.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).