2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole

C38H44N8OS4 — CID 158413158

IUPAC2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCC1=NCCS1.Cc1ccccn1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C8H7NO.C8H7NS.C6H7N.C4H6N2.C4H5NS.C4H7NS.C4H5NS/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;2*1-4-5-2-3-6-4/h2*2-5H,1H3;2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;2-3H2,1H3;2-3H,1H3
InChIKeyGZOFGBBANGSAHI-UHFFFAOYSA-N
MW757.09 g/mol
LogP10.90
Rot. Bonds

About 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole

2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (PubChem CID 158413158) has the molecular formula C38H44N8OS4 and a molecular weight of 757.09 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
PubChem CID158413158
Molecular FormulaC38H44N8OS4
Molecular Weight757.09 g/mol
Exact Mass756.25
IUPAC Name2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCC1=NCCS1.Cc1ccccn1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C8H7NO.C8H7NS.C6H7N.C4H6N2.C4H5NS.C4H7NS.C4H5NS/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;2*1-4-5-2-3-6-4/h2*2-5H,1H3;2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;2-3H2,1H3;2-3H,1H3
InChIKeyGZOFGBBANGSAHI-UHFFFAOYSA-N
XLogP10.90
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.09
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (CID 158413158) is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The canonical SMILES for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is CC1=NCCS1.Cc1ccccn1.Cc1cscn1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1.
What is the InChIKey of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The InChIKey is GZOFGBBANGSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C8H7NS.C6H7N.C4H6N2.C4H5NS.C4H7NS.C4H5NS/c2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;1-4-2-6-3-5-4;2*1-4-5-2-3-6-4/h2*2-5H,1H3;2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;2-3H2,1H3;2-3H,1H3.
What are the key properties of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole has a molecular weight of 757.09 g/mol, XLogP of 10.90, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-4,5-dihydro-1,3-thiazole;2-methyl-1H-imidazole;2-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 158413158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).