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

C14H18N2O2S — CID 79518870

IUPAC6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3CCOCC3)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-2-18-11-3-4-12-13(9-11)19-14(16-12)15-10-5-7-17-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,15,16)
InChIKeyDLFQXJXJNYRHET-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.29
Rot. Bonds4

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

6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 79518870) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
PubChem CID79518870
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NC3CCOCC3)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-2-18-11-3-4-12-13(9-11)19-14(16-12)15-10-5-7-17-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,15,16)
InChIKeyDLFQXJXJNYRHET-UHFFFAOYSA-N
XLogP3.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79516069
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-(1,1-dioxothiolan-3-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79518186
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)thiourea
CID 3458373
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8674496
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine (CID 79518870) is 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NC3CCOCC3)sc2c1.
What is the InChIKey of 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is DLFQXJXJNYRHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-18-11-3-4-12-13(9-11)19-14(16-12)15-10-5-7-17-8-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,15,16).
What are the key properties of 6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 278.38 g/mol, XLogP of 3.29, 4 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-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).