2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene

C57H97N3O2S4 — CID 158570664

IUPAC2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene
SMILESC.C.C.C.C.C.C.CC.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccccc1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)n1
InChIInChI=1S/C7H9N.C7H8.2C6H8O.2C6H8S.2C5H7NS.C2H6.7CH4/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2;;;;;;;/h3-5H,1-2H3;2-6H,1H3;4*3-4H,1-2H3;2*3H,1-2H3;1-2H3;7*1H4
InChIKeyHSAPUGDSCKMGRY-UHFFFAOYSA-N
MW984.69 g/mol
LogP21.22
Rot. Bonds

About 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene

2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene (PubChem CID 158570664) has the molecular formula C57H97N3O2S4 and a molecular weight of 984.69 g/mol. Its IUPAC name is 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene.

Molecular Properties

Compound Name2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene
PubChem CID158570664
Molecular FormulaC57H97N3O2S4
Molecular Weight984.69 g/mol
Exact Mass983.65
IUPAC Name2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene
SMILESC.C.C.C.C.C.C.CC.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccccc1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)n1
InChIInChI=1S/C7H9N.C7H8.2C6H8O.2C6H8S.2C5H7NS.C2H6.7CH4/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2;;;;;;;/h3-5H,1-2H3;2-6H,1H3;4*3-4H,1-2H3;2*3H,1-2H3;1-2H3;7*1H4
InChIKeyHSAPUGDSCKMGRY-UHFFFAOYSA-N
XLogP21.22
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.69
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
4-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
2-(Furan-3-yl)-4-(2-methoxy-3-pyridinyl)-1,3-thiazole
CID 119052742
2-(furan-2-yl)-4-[[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 164634305
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
4-(2-Furylmethylthio)-3-methyl-2-[(2-pyridinylthio)methyl]pyridine
CID 22117320
5-(furan-2-yl)-6-propan-2-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 58733694
Methyl-(5-methyl-1,3-benzothiazol-2-yl)-(5-methylfuran-3-yl)-pyrrol-1-ylsilane
CID 59787460
4-(Furan-3-yl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
CID 69852988
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene?
The IUPAC name of 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene (CID 158570664) is 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene.
What is the SMILES notation for 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene?
The canonical SMILES for 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene is C.C.C.C.C.C.C.CC.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccccc1.Cc1cnc(C)s1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene?
The InChIKey is HSAPUGDSCKMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C7H8.2C6H8O.2C6H8S.2C5H7NS.C2H6.7CH4/c1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2;;;;;;;/h3-5H,1-2H3;2-6H,1H3;4*3-4H,1-2H3;2*3H,1-2H3;1-2H3;7*1H4.
What are the key properties of 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene?
2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene has a molecular weight of 984.69 g/mol, XLogP of 21.22, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;ethane;methane;toluene is sourced from PubChem (CID 158570664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).