bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene

C24H30N2S5 — CID 158724311

IUPACbis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
SMILESCc1cc2sc(C)cc2s1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C8H8S2.C6H8S.2C5H7NS/c1-5-3-7-8(9-5)4-6(2)10-7;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3
InChIKeyIKHKRYBHOMJYCT-UHFFFAOYSA-N
MW506.85 g/mol
LogP9.46
Rot. Bonds

About bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene

bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene (PubChem CID 158724311) has the molecular formula C24H30N2S5 and a molecular weight of 506.85 g/mol. Its IUPAC name is bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene.

Molecular Properties

Compound Namebis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
PubChem CID158724311
Molecular FormulaC24H30N2S5
Molecular Weight506.85 g/mol
Exact Mass506.10
IUPAC Namebis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
SMILESCc1cc2sc(C)cc2s1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C8H8S2.C6H8S.2C5H7NS/c1-5-3-7-8(9-5)4-6(2)10-7;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3
InChIKeyIKHKRYBHOMJYCT-UHFFFAOYSA-N
XLogP9.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene?
The IUPAC name of bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene (CID 158724311) is bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene.
What is the SMILES notation for bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene?
The canonical SMILES for bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene is Cc1cc2sc(C)cc2s1.Cc1ccc(C)s1.Cc1cnc(C)s1.Cc1cnc(C)s1.
What is the InChIKey of bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene?
The InChIKey is IKHKRYBHOMJYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8S2.C6H8S.2C5H7NS/c1-5-3-7-8(9-5)4-6(2)10-7;1-5-3-4-6(2)7-5;2*1-4-3-6-5(2)7-4/h3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene?
bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene has a molecular weight of 506.85 g/mol, XLogP of 9.46, 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);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene is sourced from PubChem (CID 158724311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).