6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine

C15H20N2O2S — CID 79518749

IUPAC6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCC3CCOCC3)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-2-19-12-3-4-13-14(9-12)20-15(17-13)16-10-11-5-7-18-8-6-11/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyBILCJMVBOIIZTO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.53
Rot. Bonds5

About 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 79518749) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID79518749
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCC3CCOCC3)sc2c1
InChIInChI=1S/C15H20N2O2S/c1-2-19-12-3-4-13-14(9-12)20-15(17-13)16-10-11-5-7-18-8-6-11/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyBILCJMVBOIIZTO-UHFFFAOYSA-N
XLogP3.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 106419902
5-bromo-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 63712462
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79516069

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine (CID 79518749) is 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCC3CCOCC3)sc2c1.
What is the InChIKey of 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is BILCJMVBOIIZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-19-12-3-4-13-14(9-12)20-15(17-13)16-10-11-5-7-18-8-6-11/h3-4,9,11H,2,5-8,10H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).