bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene

C28H38N2S5 — CID 158743714

IUPACbis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
SMILESCc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)c1
InChIInChI=1S/3C6H8S.2C5H7NS/c2*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3*3-4H,1-2H3;2*3H,1-2H3
InChIKeyIMPVPGATXLYOCK-UHFFFAOYSA-N
MW562.96 g/mol
LogP10.61
Rot. Bonds

About bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene

bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene (PubChem CID 158743714) has the molecular formula C28H38N2S5 and a molecular weight of 562.96 g/mol. Its IUPAC name is bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene.

Molecular Properties

Compound Namebis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
PubChem CID158743714
Molecular FormulaC28H38N2S5
Molecular Weight562.96 g/mol
Exact Mass562.16
IUPAC Namebis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
SMILESCc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)c1
InChIInChI=1S/3C6H8S.2C5H7NS/c2*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3*3-4H,1-2H3;2*3H,1-2H3
InChIKeyIMPVPGATXLYOCK-UHFFFAOYSA-N
XLogP10.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.96
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
CID 158724311
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
CID 160729292
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
2,4-dimethylthiophene;vanadium
CID 143324996
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;1,3-xylene;1,4-xylene
CID 159233257
2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
CID 159027146
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
CID 161222275
2,4-dimethylthiophene;2-methyl-5-phenylthiophene;2-methylthiolane 1,1-dioxide
CID 160701946
2,4-dimethylthiophene;phenylcarbamic acid
CID 175534034
2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane
CID 166457843
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene?
The IUPAC name of bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene (CID 158743714) is bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene.
What is the SMILES notation for bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene?
The canonical SMILES for bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene is Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)c1.
What is the InChIKey of bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene?
The InChIKey is IMPVPGATXLYOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H8S.2C5H7NS/c2*1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene?
bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene has a molecular weight of 562.96 g/mol, XLogP of 10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene is sourced from PubChem (CID 158743714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).