1-imino-3-methyl-2H-1,3-benzothiazole

C8H10N2S — CID 174467519

IUPAC1-imino-3-methyl-2H-1,3-benzothiazole
SMILES[H]/N=S1\CN(C)c2ccccc21
InChIInChI=1S/C8H10N2S/c1-10-6-11(9)8-5-3-2-4-7(8)10/h2-5,9H,6H2,1H3
InChIKeyVKSYJDIYKLCUII-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.83
Rot. Bonds

About 1-imino-3-methyl-2H-1,3-benzothiazole

1-imino-3-methyl-2H-1,3-benzothiazole (PubChem CID 174467519) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-imino-3-methyl-2H-1,3-benzothiazole.

Molecular Properties

Compound Name1-imino-3-methyl-2H-1,3-benzothiazole
PubChem CID174467519
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-imino-3-methyl-2H-1,3-benzothiazole
SMILES[H]/N=S1\CN(C)c2ccccc21
InChIInChI=1S/C8H10N2S/c1-10-6-11(9)8-5-3-2-4-7(8)10/h2-5,9H,6H2,1H3
InChIKeyVKSYJDIYKLCUII-UHFFFAOYSA-N
XLogP1.83
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-imino-3-methyl-2H-1,3-benzothiazole?
The IUPAC name of 1-imino-3-methyl-2H-1,3-benzothiazole (CID 174467519) is 1-imino-3-methyl-2H-1,3-benzothiazole.
What is the SMILES notation for 1-imino-3-methyl-2H-1,3-benzothiazole?
The canonical SMILES for 1-imino-3-methyl-2H-1,3-benzothiazole is [H]/N=S1\CN(C)c2ccccc21.
What is the InChIKey of 1-imino-3-methyl-2H-1,3-benzothiazole?
The InChIKey is VKSYJDIYKLCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10-6-11(9)8-5-3-2-4-7(8)10/h2-5,9H,6H2,1H3.
What are the key properties of 1-imino-3-methyl-2H-1,3-benzothiazole?
1-imino-3-methyl-2H-1,3-benzothiazole has a molecular weight of 166.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-3-methyl-2H-1,3-benzothiazole is sourced from PubChem (CID 174467519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).