6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine

C13H13N3O2S — CID 106419902

IUPAC6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ccno3)sc2c1
InChIInChI=1S/C13H13N3O2S/c1-2-17-9-3-4-11-12(7-9)19-13(16-11)14-8-10-5-6-15-18-10/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyUCZNGENLIAHFMU-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.30
Rot. Bonds5

About 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 106419902) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID106419902
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ccno3)sc2c1
InChIInChI=1S/C13H13N3O2S/c1-2-17-9-3-4-11-12(7-9)19-13(16-11)14-8-10-5-6-15-18-10/h3-7H,2,8H2,1H3,(H,14,16)
InChIKeyUCZNGENLIAHFMU-UHFFFAOYSA-N
XLogP3.30
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
6-ethoxy-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 146133997
6-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518059
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
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-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 106419902) is 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCc3ccno3)sc2c1.
What is the InChIKey of 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is UCZNGENLIAHFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-2-17-9-3-4-11-12(7-9)19-13(16-11)14-8-10-5-6-15-18-10/h3-7H,2,8H2,1H3,(H,14,16).
What are the key properties of 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106419902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).