2-methyl-1,3-benzothiazole;2-methylpyridine

C14H14N2S — CID 160647860

IUPAC2-methyl-1,3-benzothiazole;2-methylpyridine
SMILESCc1ccccn1.Cc1nc2ccccc2s1
InChIInChI=1S/C8H7NS.C6H7N/c1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6/h2-5H,1H3;2-5H,1H3
InChIKeyRKAHLGKKKFBZMX-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.99
Rot. Bonds

About 2-methyl-1,3-benzothiazole;2-methylpyridine

2-methyl-1,3-benzothiazole;2-methylpyridine (PubChem CID 160647860) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;2-methylpyridine.

Molecular Properties

Compound Name2-methyl-1,3-benzothiazole;2-methylpyridine
PubChem CID160647860
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-methyl-1,3-benzothiazole;2-methylpyridine
SMILESCc1ccccn1.Cc1nc2ccccc2s1
InChIInChI=1S/C8H7NS.C6H7N/c1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6/h2-5H,1H3;2-5H,1H3
InChIKeyRKAHLGKKKFBZMX-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole
CID 161214850
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
2-methyl-1,3-benzothiazole;urea
CID 161197769
bromomethylbenzene;2-methyl-1,3-benzothiazole
CID 161475855
2-methyl-1,3-benzothiazole;sulfanylurea
CID 175000494
2,2-dimethylpropane;2-methylpyridine
CID 159740552
magnesium;hydride;2-methylpyridine;hydroiodide
CID 174750573
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
2-methylpyridine;pyridine
CID 19753594
dibromonickel;2-methylpyridine
CID 159872160
dichloroplatinum;bis(2-methylpyridine)
CID 4034453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;2-methylpyridine?
The IUPAC name of 2-methyl-1,3-benzothiazole;2-methylpyridine (CID 160647860) is 2-methyl-1,3-benzothiazole;2-methylpyridine.
What is the SMILES notation for 2-methyl-1,3-benzothiazole;2-methylpyridine?
The canonical SMILES for 2-methyl-1,3-benzothiazole;2-methylpyridine is Cc1ccccn1.Cc1nc2ccccc2s1.
What is the InChIKey of 2-methyl-1,3-benzothiazole;2-methylpyridine?
The InChIKey is RKAHLGKKKFBZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C6H7N/c1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6/h2-5H,1H3;2-5H,1H3.
What are the key properties of 2-methyl-1,3-benzothiazole;2-methylpyridine?
2-methyl-1,3-benzothiazole;2-methylpyridine has a molecular weight of 242.35 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzothiazole;2-methylpyridine is sourced from PubChem (CID 160647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).