5-ethoxy-2-methyl-1,3-benzothiazole

C10H11NOS — CID 832782

IUPAC5-ethoxy-2-methyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H11NOS/c1-3-12-8-4-5-10-9(6-8)11-7(2)13-10/h4-6H,3H2,1-2H3
InChIKeyTWAXSJIYEJMXDN-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.00
Rot. Bonds2

About 5-ethoxy-2-methyl-1,3-benzothiazole

5-ethoxy-2-methyl-1,3-benzothiazole (PubChem CID 832782) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1,3-benzothiazole
PubChem CID832782
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name5-ethoxy-2-methyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H11NOS/c1-3-12-8-4-5-10-9(6-8)11-7(2)13-10/h4-6H,3H2,1-2H3
InChIKeyTWAXSJIYEJMXDN-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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Related Compounds

ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine
CID 3408092
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
3-(5-ethoxy-1,3-benzothiazol-2-yl)-3-oxopropanenitrile
CID 177341548
N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
CID 69472776
hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
CID 58683338
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
5-ethoxy-2-[(2-methylphenyl)methylsulfanyl]-1,3-benzothiazole
CID 23848672

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-ethoxy-2-methyl-1,3-benzothiazole (CID 832782) is 5-ethoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-ethoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-ethoxy-2-methyl-1,3-benzothiazole is CCOc1ccc2sc(C)nc2c1.
What is the InChIKey of 5-ethoxy-2-methyl-1,3-benzothiazole?
The InChIKey is TWAXSJIYEJMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-12-8-4-5-10-9(6-8)11-7(2)13-10/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-1,3-benzothiazole?
5-ethoxy-2-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 5-ethoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 832782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).