1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene

C29H39N5O2S2 — CID 157063946

IUPAC1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
SMILESCc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1nccn1C.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H9N.C5H8N2.C5H6O.C5H6S.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-5-6-3-4-7(5)2;2*1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;3-4H,1-2H3;2*2-4H,1H3;2*2-3H,1H3
InChIKeyABQOWCBZQGXOPE-UHFFFAOYSA-N
MW553.80 g/mol
LogP8.14
Rot. Bonds

About 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene

1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 157063946) has the molecular formula C29H39N5O2S2 and a molecular weight of 553.80 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

Compound Name1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
PubChem CID157063946
Molecular FormulaC29H39N5O2S2
Molecular Weight553.80 g/mol
Exact Mass553.25
IUPAC Name1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
SMILESCc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1nccn1C.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H9N.C5H8N2.C5H6O.C5H6S.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-5-6-3-4-7(5)2;2*1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;3-4H,1-2H3;2*2-4H,1H3;2*2-3H,1H3
InChIKeyABQOWCBZQGXOPE-UHFFFAOYSA-N
XLogP8.14
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.80
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 71856428
N-(2-furylmethyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 3144336
1-{3-[2-(Furan-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]pyrrolidin-1-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53186868
3-[2-(Furan-2-YL)-3H-imidazo[4,5-B]pyridin-3-YL]-1-(thiophene-3-carbonyl)pyrrolidine
CID 53186869
[3-[2-(Furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 53186874
2-methoxy-5-{2-[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]-1H-imidazol-1-yl}pyridine
CID 56914035
3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide
CID 24645057
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24665978
4-[[1-(3-Fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 30899973
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36367751
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N,5-dimethyl-1,3-thiazole-4-carboxamide
CID 37436778
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 38344334

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene?
The IUPAC name of 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene (CID 157063946) is 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene.
What is the SMILES notation for 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene?
The canonical SMILES for 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene is Cc1cccn1C.Cc1ccco1.Cc1cccs1.Cc1nccn1C.Cc1ncco1.Cc1nccs1.
What is the InChIKey of 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene?
The InChIKey is ABQOWCBZQGXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C5H8N2.C5H6O.C5H6S.C4H5NO.C4H5NS/c1-6-4-3-5-7(6)2;1-5-6-3-4-7(5)2;2*1-5-3-2-4-6-5;2*1-4-5-2-3-6-4/h3-5H,1-2H3;3-4H,1-2H3;2*2-4H,1H3;2*2-3H,1H3.
What are the key properties of 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene?
1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 553.80 g/mol, XLogP of 8.14, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 157063946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).