5-ethoxy-6-methyl-1,3-benzothiazole

C10H11NOS — CID 22609016

IUPAC5-ethoxy-6-methyl-1,3-benzothiazole
SMILESCCOc1cc2ncsc2cc1C
InChIInChI=1S/C10H11NOS/c1-3-12-9-5-8-10(4-7(9)2)13-6-11-8/h4-6H,3H2,1-2H3
InChIKeyGEKXOUYAKXHBMV-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.00
Rot. Bonds2

About 5-ethoxy-6-methyl-1,3-benzothiazole

5-ethoxy-6-methyl-1,3-benzothiazole (PubChem CID 22609016) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-ethoxy-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethoxy-6-methyl-1,3-benzothiazole
PubChem CID22609016
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name5-ethoxy-6-methyl-1,3-benzothiazole
SMILESCCOc1cc2ncsc2cc1C
InChIInChI=1S/C10H11NOS/c1-3-12-9-5-8-10(4-7(9)2)13-6-11-8/h4-6H,3H2,1-2H3
InChIKeyGEKXOUYAKXHBMV-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

5-fluoro-6-methyl-1,3-benzothiazole;propane
CID 143386612
5-methyl-1,3-benzothiazole-6-carbonitrile
CID 129148958
ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 90852129
7-ethoxy-1,3-benzothiazole
CID 18461248
6-methyl-5-thiophen-2-yl-1,3-benzothiazole
CID 174683286
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
4-(1,3-benzothiazol-5-yloxy)-3-methylaniline
CID 66937132
2-amino-1-(6-bromo-1,3-benzothiazol-5-yl)ethanol
CID 83904080
[1,3]thiazolo[5,4-g]quinoxaline
CID 45077795
N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818846
6-amino-4-(1,3-benzothiazol-5-ylamino)-7-ethoxy-2-ethylquinoline-3-carbonitrile
CID 177179076
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methyl-1,3-benzothiazole?
The IUPAC name of 5-ethoxy-6-methyl-1,3-benzothiazole (CID 22609016) is 5-ethoxy-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-ethoxy-6-methyl-1,3-benzothiazole?
The canonical SMILES for 5-ethoxy-6-methyl-1,3-benzothiazole is CCOc1cc2ncsc2cc1C.
What is the InChIKey of 5-ethoxy-6-methyl-1,3-benzothiazole?
The InChIKey is GEKXOUYAKXHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-12-9-5-8-10(4-7(9)2)13-6-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 5-ethoxy-6-methyl-1,3-benzothiazole?
5-ethoxy-6-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-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 22609016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).