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

C13H13N3OS — CID 162380241

IUPAC6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cnco3)sc2c1
InChIInChI=1S/C13H13N3OS/c1-2-9-3-4-11-12(5-9)18-13(16-11)15-7-10-6-14-8-17-10/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyXWBZLDHQCWDZOS-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.46
Rot. Bonds4

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

6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 162380241) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID162380241
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(NCc3cnco3)sc2c1
InChIInChI=1S/C13H13N3OS/c1-2-9-3-4-11-12(5-9)18-13(16-11)15-7-10-6-14-8-17-10/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyXWBZLDHQCWDZOS-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine (CID 162380241) is 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is CCc1ccc2nc(NCc3cnco3)sc2c1.
What is the InChIKey of 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is XWBZLDHQCWDZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-9-3-4-11-12(5-9)18-13(16-11)15-7-10-6-14-8-17-10/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine?
6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162380241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).