ethane;5-methyl-1,2-benzothiazole

C12H19NS — CID 91161851

IUPACethane;5-methyl-1,2-benzothiazole
SMILESCC.CC.Cc1ccc2sncc2c1
InChIInChI=1S/C8H7NS.2C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyVWRNKKUUQQOVFE-UHFFFAOYSA-N
MW209.36 g/mol
LogP4.66
Rot. Bonds

About ethane;5-methyl-1,2-benzothiazole

ethane;5-methyl-1,2-benzothiazole (PubChem CID 91161851) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;5-methyl-1,2-benzothiazole.

Molecular Properties

Compound Nameethane;5-methyl-1,2-benzothiazole
PubChem CID91161851
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Nameethane;5-methyl-1,2-benzothiazole
SMILESCC.CC.Cc1ccc2sncc2c1
InChIInChI=1S/C8H7NS.2C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyVWRNKKUUQQOVFE-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-1,2-benzothiazole
CID 121231926
N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
CID 131845316
6-ethyl-1,2-benzothiazole
CID 70295455
3,5-dimethyl-1,2-benzothiazole;ethane
CID 142044862
5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117308135
(5-methyl-1,3-benzothiazol-2-yl)sulfanium
CID 23515219
N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
CID 99833360
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
CID 99825276
ethane;6-methylisoquinoline
CID 145106291
3,5-dimethyl-1,2-benzothiazole
CID 14145205
N-(1,2-benzothiazol-5-yl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 100796768
2,7-dimethylphenanthrene;ethane
CID 91503011

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2-benzothiazole?
The IUPAC name of ethane;5-methyl-1,2-benzothiazole (CID 91161851) is ethane;5-methyl-1,2-benzothiazole.
What is the SMILES notation for ethane;5-methyl-1,2-benzothiazole?
The canonical SMILES for ethane;5-methyl-1,2-benzothiazole is CC.CC.Cc1ccc2sncc2c1.
What is the InChIKey of ethane;5-methyl-1,2-benzothiazole?
The InChIKey is VWRNKKUUQQOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.2C2H6/c1-6-2-3-8-7(4-6)5-9-10-8;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-1,2-benzothiazole?
ethane;5-methyl-1,2-benzothiazole has a molecular weight of 209.36 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2-benzothiazole is sourced from PubChem (CID 91161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).