3,5-dimethyl-1,2-benzothiazole;ethane

C11H15NS — CID 142044862

IUPAC3,5-dimethyl-1,2-benzothiazole;ethane
SMILESCC.Cc1ccc2snc(C)c2c1
InChIInChI=1S/C9H9NS.C2H6/c1-6-3-4-9-8(5-6)7(2)10-11-9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNLTPUACWNVFWAB-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.94
Rot. Bonds

About 3,5-dimethyl-1,2-benzothiazole;ethane

3,5-dimethyl-1,2-benzothiazole;ethane (PubChem CID 142044862) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-benzothiazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1,2-benzothiazole;ethane
PubChem CID142044862
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3,5-dimethyl-1,2-benzothiazole;ethane
SMILESCC.Cc1ccc2snc(C)c2c1
InChIInChI=1S/C9H9NS.C2H6/c1-6-3-4-9-8(5-6)7(2)10-11-9;1-2/h3-5H,1-2H3;1-2H3
InChIKeyNLTPUACWNVFWAB-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1,2-benzothiazole
CID 14145205
5-ethyl-3-methyl-1,2-benzothiazole
CID 70297880
ethane;6-ethyl-3-methyl-1,2-benzothiazole
CID 90929193
[1-(3-methyl-1,2-benzothiazol-5-yl)cyclohexyl]methanamine
CID 117405805
N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
CID 53015451
ethane;5-methyl-1,2-benzothiazole
CID 91161851
3,6-dimethyl-2,1-benzothiazole;ethane
CID 142266347
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
3-(1,3-benzothiazol-5-ylmethyl)-5-methyl-1,2-benzothiazole
CID 90688140
2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide
CID 14762284
2-hydroxy-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]ethanone
CID 167845759
1,2-benzothiazole-3-carboxamide;5-methyl-1,2-benzothiazole-3-carbonitrile
CID 162009471

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-benzothiazole;ethane?
The IUPAC name of 3,5-dimethyl-1,2-benzothiazole;ethane (CID 142044862) is 3,5-dimethyl-1,2-benzothiazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1,2-benzothiazole;ethane?
The canonical SMILES for 3,5-dimethyl-1,2-benzothiazole;ethane is CC.Cc1ccc2snc(C)c2c1.
What is the InChIKey of 3,5-dimethyl-1,2-benzothiazole;ethane?
The InChIKey is NLTPUACWNVFWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS.C2H6/c1-6-3-4-9-8(5-6)7(2)10-11-9;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2-benzothiazole;ethane?
3,5-dimethyl-1,2-benzothiazole;ethane has a molecular weight of 193.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-benzothiazole;ethane is sourced from PubChem (CID 142044862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).