2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene

C57H76N4O2S3 — CID 158625212

IUPAC2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1ccc(C)s1.Cc1cccc(-c2ccc3c(c2)CNC3=O)n1.Cc1cn(C)c(C)c1C.Cc1coc(C)c1C.Cc1csc(C)c1C
InChIInChI=1S/C14H12N2O.2C8H13N.C7H10O.2C7H10S.C6H8S/c1-9-3-2-4-13(16-9)10-5-6-12-11(7-10)8-15-14(12)17;1-6-5-9(4)8(3)7(6)2;1-6-5-7(2)9(4)8(6)3;2*1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2-7H,8H2,1H3,(H,15,17);2*5H,1-4H3;3*4H,1-3H3;3-4H,1-2H3
InChIKeyHYMSZLNVBZXTIB-UHFFFAOYSA-N
MW945.46 g/mol
LogP16.12
Rot. Bonds1

About 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene

2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene (PubChem CID 158625212) has the molecular formula C57H76N4O2S3 and a molecular weight of 945.46 g/mol. Its IUPAC name is 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
PubChem CID158625212
Molecular FormulaC57H76N4O2S3
Molecular Weight945.46 g/mol
Exact Mass944.51
IUPAC Name2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene
SMILESCc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1ccc(C)s1.Cc1cccc(-c2ccc3c(c2)CNC3=O)n1.Cc1cn(C)c(C)c1C.Cc1coc(C)c1C.Cc1csc(C)c1C
InChIInChI=1S/C14H12N2O.2C8H13N.C7H10O.2C7H10S.C6H8S/c1-9-3-2-4-13(16-9)10-5-6-12-11(7-10)8-15-14(12)17;1-6-5-9(4)8(3)7(6)2;1-6-5-7(2)9(4)8(6)3;2*1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2-7H,8H2,1H3,(H,15,17);2*5H,1-4H3;3*4H,1-3H3;3-4H,1-2H3
InChIKeyHYMSZLNVBZXTIB-UHFFFAOYSA-N
XLogP16.12
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.46
LogP ≤ 516.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The IUPAC name of 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene (CID 158625212) is 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene.
What is the SMILES notation for 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The canonical SMILES for 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene is Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1ccc(C)s1.Cc1cccc(-c2ccc3c(c2)CNC3=O)n1.Cc1cn(C)c(C)c1C.Cc1coc(C)c1C.Cc1csc(C)c1C.
What is the InChIKey of 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
The InChIKey is HYMSZLNVBZXTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.2C8H13N.C7H10O.2C7H10S.C6H8S/c1-9-3-2-4-13(16-9)10-5-6-12-11(7-10)8-15-14(12)17;1-6-5-9(4)8(3)7(6)2;1-6-5-7(2)9(4)8(6)3;2*1-5-4-8-7(3)6(5)2;1-5-4-6(2)8-7(5)3;1-5-3-4-6(2)7-5/h2-7H,8H2,1H3,(H,15,17);2*5H,1-4H3;3*4H,1-3H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene?
2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene has a molecular weight of 945.46 g/mol, XLogP of 16.12, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene;5-(6-methyl-2-pyridinyl)-2,3-dihydroisoindol-1-one;1,2,3,4-tetramethylpyrrole;1,2,3,5-tetramethylpyrrole;2,3,4-trimethylfuran;2,3,4-trimethylthiophene;2,3,5-trimethylthiophene is sourced from PubChem (CID 158625212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).