2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole

C13H10N2OS2 — CID 11369367

IUPAC2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole
SMILESC=COC(c1nccs1)c1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c1-2-16-11(12-14-7-8-17-12)13-15-9-5-3-4-6-10(9)18-13/h2-8,11H,1H2
InChIKeyILDOSRRUDSGMGW-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.00
Rot. Bonds4

About 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole

2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole (PubChem CID 11369367) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole
PubChem CID11369367
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole
SMILESC=COC(c1nccs1)c1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c1-2-16-11(12-14-7-8-17-12)13-15-9-5-3-4-6-10(9)18-13/h2-8,11H,1H2
InChIKeyILDOSRRUDSGMGW-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole (CID 11369367) is 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole is C=COC(c1nccs1)c1nc2ccccc2s1.
What is the InChIKey of 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole?
The InChIKey is ILDOSRRUDSGMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-2-16-11(12-14-7-8-17-12)13-15-9-5-3-4-6-10(9)18-13/h2-8,11H,1H2.
What are the key properties of 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole?
2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole has a molecular weight of 274.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 11369367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).