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4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene

C29H36N6OS6 — CID 161158708

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1ccns1.Cc1ccsc1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/C5H6S.C4H5NO.5C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-4H,1H3;6*2-3H,1H3
InChIKeyUPQIMGAOZXKUJV-UHFFFAOYSA-N
MW677.05 g/mol
LogP10.30
Rot. Bonds

About 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene

4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 161158708) has the molecular formula C29H36N6OS6 and a molecular weight of 677.05 g/mol. Its IUPAC name is 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

Compound Name4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene
PubChem CID161158708
Molecular FormulaC29H36N6OS6
Molecular Weight677.05 g/mol
Exact Mass676.13
IUPAC Name4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene
SMILESCc1ccns1.Cc1ccsc1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/C5H6S.C4H5NO.5C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-4H,1H3;6*2-3H,1H3
InChIKeyUPQIMGAOZXKUJV-UHFFFAOYSA-N
XLogP10.30
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.05
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene?
The IUPAC name of 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene (CID 161158708) is 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene.
What is the SMILES notation for 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene?
The canonical SMILES for 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene is Cc1ccns1.Cc1ccsc1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nccs1.
What is the InChIKey of 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene?
The InChIKey is UPQIMGAOZXKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H5NO.5C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-4H,1H3;6*2-3H,1H3.
What are the key properties of 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene?
4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 677.05 g/mol, XLogP of 10.30, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 161158708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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