4-ethoxy-7-methyl-1,3-benzothiazole

C10H11NOS — CID 143876356

IUPAC4-ethoxy-7-methyl-1,3-benzothiazole
SMILESCCOc1ccc(C)c2scnc12
InChIInChI=1S/C10H11NOS/c1-3-12-8-5-4-7(2)10-9(8)11-6-13-10/h4-6H,3H2,1-2H3
InChIKeyIWFMKYZPVJKBAC-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.00
Rot. Bonds2

About 4-ethoxy-7-methyl-1,3-benzothiazole

4-ethoxy-7-methyl-1,3-benzothiazole (PubChem CID 143876356) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-ethoxy-7-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-ethoxy-7-methyl-1,3-benzothiazole
PubChem CID143876356
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name4-ethoxy-7-methyl-1,3-benzothiazole
SMILESCCOc1ccc(C)c2scnc12
InChIInChI=1S/C10H11NOS/c1-3-12-8-5-4-7(2)10-9(8)11-6-13-10/h4-6H,3H2,1-2H3
InChIKeyIWFMKYZPVJKBAC-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7-methyl-1,3-benzothiazole?
The IUPAC name of 4-ethoxy-7-methyl-1,3-benzothiazole (CID 143876356) is 4-ethoxy-7-methyl-1,3-benzothiazole.
What is the SMILES notation for 4-ethoxy-7-methyl-1,3-benzothiazole?
The canonical SMILES for 4-ethoxy-7-methyl-1,3-benzothiazole is CCOc1ccc(C)c2scnc12.
What is the InChIKey of 4-ethoxy-7-methyl-1,3-benzothiazole?
The InChIKey is IWFMKYZPVJKBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-12-8-5-4-7(2)10-9(8)11-6-13-10/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethoxy-7-methyl-1,3-benzothiazole?
4-ethoxy-7-methyl-1,3-benzothiazole has a molecular weight of 193.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7-methyl-1,3-benzothiazole is sourced from PubChem (CID 143876356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).