5-ethoxy-2,4-dimethyl-1,3-benzothiazole

C11H13NOS — CID 91405697

IUPAC5-ethoxy-2,4-dimethyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1C
InChIInChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3
InChIKeyKBRQGOSHMXOCJP-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.31
Rot. Bonds2

About 5-ethoxy-2,4-dimethyl-1,3-benzothiazole

5-ethoxy-2,4-dimethyl-1,3-benzothiazole (PubChem CID 91405697) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-ethoxy-2,4-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethoxy-2,4-dimethyl-1,3-benzothiazole
PubChem CID91405697
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name5-ethoxy-2,4-dimethyl-1,3-benzothiazole
SMILESCCOc1ccc2sc(C)nc2c1C
InChIInChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3
InChIKeyKBRQGOSHMXOCJP-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-2,4-dimethyl-1,3-benzothiazole
CID 67155147
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
CID 8719702
iridium(3+);tris(2-methylbenzo[e][1,3]benzothiazole)
CID 159400609
iridium(3+);pentakis(2-methylbenzo[e][1,3]benzothiazole)
CID 162205439
2-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190144
2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole
CID 135130168
4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226714
5-(4-ethoxyphenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450646
5-(2-chlorophenyl)-2,4-dimethyl-1,3-benzothiazole
CID 174756627
4-bromo-2,5-dimethyl-1,3-benzothiazole;ethane
CID 178049044
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide
CID 43961113

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The IUPAC name of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole (CID 91405697) is 5-ethoxy-2,4-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The canonical SMILES for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole is CCOc1ccc2sc(C)nc2c1C.
What is the InChIKey of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
The InChIKey is KBRQGOSHMXOCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-4-13-9-5-6-10-11(7(9)2)12-8(3)14-10/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2,4-dimethyl-1,3-benzothiazole?
5-ethoxy-2,4-dimethyl-1,3-benzothiazole has a molecular weight of 207.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,4-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 91405697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).