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

C12H17NS — CID 90929193

IUPACethane;6-ethyl-3-methyl-1,2-benzothiazole
SMILESCC.CCc1ccc2c(C)nsc2c1
InChIInChI=1S/C10H11NS.C2H6/c1-3-8-4-5-9-7(2)11-12-10(9)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyNKXUOZDWSPXNPB-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.19
Rot. Bonds1

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

ethane;6-ethyl-3-methyl-1,2-benzothiazole (PubChem CID 90929193) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;6-ethyl-3-methyl-1,2-benzothiazole.

Molecular Properties

Compound Nameethane;6-ethyl-3-methyl-1,2-benzothiazole
PubChem CID90929193
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Nameethane;6-ethyl-3-methyl-1,2-benzothiazole
SMILESCC.CCc1ccc2c(C)nsc2c1
InChIInChI=1S/C10H11NS.C2H6/c1-3-8-4-5-9-7(2)11-12-10(9)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyNKXUOZDWSPXNPB-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-methyl-1,2-benzothiazole
CID 70297880
3,5-dimethyl-1,2-benzothiazole
CID 14145205
3-(3-methyl-1,2-benzothiazol-5-yl)propanal
CID 117293767
(E)-3-(3-methyl-1,2-benzothiazol-6-yl)prop-2-en-1-amine
CID 117292867
ethyl 2-hydroxy-2-(3-methyl-1,2-benzothiazol-6-yl)acetate
CID 117381147
6-but-2-enoxy-3-methyl-1,2-benzothiazole
CID 140979280
3-ethyl-7-propyldibenzothiophene
CID 135251711
6-ethyl-1,2-benzothiazole
CID 70295455
3-chloro-6-ethyl-1-benzothiophene
CID 91757441
6-ethyl-1,2-benzothiazole;propane
CID 142320291
2-ethyl-7-methylphenanthrene
CID 59758331
ethane;5-ethyl-2,1,3-benzothiadiazole
CID 143588455

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3-methyl-1,2-benzothiazole?
The IUPAC name of ethane;6-ethyl-3-methyl-1,2-benzothiazole (CID 90929193) is ethane;6-ethyl-3-methyl-1,2-benzothiazole.
What is the SMILES notation for ethane;6-ethyl-3-methyl-1,2-benzothiazole?
The canonical SMILES for ethane;6-ethyl-3-methyl-1,2-benzothiazole is CC.CCc1ccc2c(C)nsc2c1.
What is the InChIKey of ethane;6-ethyl-3-methyl-1,2-benzothiazole?
The InChIKey is NKXUOZDWSPXNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-3-8-4-5-9-7(2)11-12-10(9)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-3-methyl-1,2-benzothiazole?
ethane;6-ethyl-3-methyl-1,2-benzothiazole has a molecular weight of 207.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3-methyl-1,2-benzothiazole is sourced from PubChem (CID 90929193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).