2-ethyl-6-methyl-1,3-benzothiazole

C10H11NS — CID 22899424

IUPAC2-ethyl-6-methyl-1,3-benzothiazole
SMILESCCc1nc2ccc(C)cc2s1
InChIInChI=1S/C10H11NS/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3
InChIKeyDJXUMQYYDFNLSA-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.17
Rot. Bonds1

About 2-ethyl-6-methyl-1,3-benzothiazole

2-ethyl-6-methyl-1,3-benzothiazole (PubChem CID 22899424) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,3-benzothiazole
PubChem CID22899424
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-ethyl-6-methyl-1,3-benzothiazole
SMILESCCc1nc2ccc(C)cc2s1
InChIInChI=1S/C10H11NS/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3
InChIKeyDJXUMQYYDFNLSA-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
2-methyl-1-(6-methyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 79142285
N-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79143288
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
CID 142320199
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
(2-ethyl-1,3-benzothiazol-6-yl)methanesulfonic acid
CID 174833432
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
3-(2-ethyl-1,3-benzothiazol-6-yl)propanoic acid
CID 84698737
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
CID 79142621

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-ethyl-6-methyl-1,3-benzothiazole (CID 22899424) is 2-ethyl-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-ethyl-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-ethyl-6-methyl-1,3-benzothiazole is CCc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-ethyl-6-methyl-1,3-benzothiazole?
The InChIKey is DJXUMQYYDFNLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-1,3-benzothiazole?
2-ethyl-6-methyl-1,3-benzothiazole has a molecular weight of 177.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 22899424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).