2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine

C69H96N14O2S2 — CID 157360441

IUPAC2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1nc2ncccc2o1.Cc1nc2ncccc2s1
InChIInChI=1S/C9H10N2.2C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.7C2H6/c1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-7-6(10-5)3-2-4-8-7;7*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;2*2-5H,1H3;2*2-4H,1H3;7*1-2H3
InChIKeyBIOPXWPVWZRPPK-UHFFFAOYSA-N
MW1217.76 g/mol
LogP19.96
Rot. Bonds

About 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine

2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 157360441) has the molecular formula C69H96N14O2S2 and a molecular weight of 1217.76 g/mol. Its IUPAC name is 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID157360441
Molecular FormulaC69H96N14O2S2
Molecular Weight1217.76 g/mol
Exact Mass1216.73
IUPAC Name2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1nc2ncccc2o1.Cc1nc2ncccc2s1
InChIInChI=1S/C9H10N2.2C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.7C2H6/c1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-7-6(10-5)3-2-4-8-7;7*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;2*2-5H,1H3;2*2-4H,1H3;7*1-2H3
InChIKeyBIOPXWPVWZRPPK-UHFFFAOYSA-N
XLogP19.96
TPSA182.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.76
LogP ≤ 519.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Related Compounds

6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
1-Methoxy-4-methylbenzene;2-methyl-1,3-benzoxazole;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 161612024
N-[5-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]pyrazin-2-yl]-5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-1,3-thiazol-2-amine
CID 59295276
N-[6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-1,3-benzothiazol-2-amine
CID 59679872
2-([1,3]Thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 134598633
2-[4-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-imidazo[1,2-a]pyridin-2-yl-4H-quinolizin-1-yl]-1,3-benzoxazole
CID 141222485
2-[4-(1,3-Benzothiazol-2-yl)-3-(1,3-benzoxazol-2-yl)pentan-2-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 144513113
2-[2-(1H-imidazo[4,5-b]pyridin-5-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 146588501
[(3Z,6Z)-5-diphenylboranyl-1,4-dimethyl-3,6-bis[(2-methyl-[1,3]thiazolo[4,5-f][1,3]benzoxazol-6-yl)-pyrimidin-2-ylmethylidene]pyrrolo[3,4-c]pyrrol-2-yl]-diphenylborane
CID 147778751
N-(1,3-benzothiazol-2-ylmethyl)-1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanamine;1-[6-[N-(1,3-benzothiazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;[6-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-2-pyridinyl]methanol;2-[[2-[N-(1,3-benzoxazol-2-ylmethyl)-C-methylcarbonimidoyl]-4-pyridinyl]oxy]-N,N-dimethylethanamine;N-methyl-2-[2-[(1-pyridin-2-ylethylideneamino)methyl]benzimidazol-1-yl]ethanamine;1-pyridin-2-yl-N-([1,3]thiazolo[5,4-c]pyridin-2-ylmethyl)ethanimine
CID 157054867

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 157360441) is 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine is CC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2ccccn2c1C.Cc1nc2cccnc2n1C.Cc1nc2cccnc2n1C.Cc1nc2ncccc2o1.Cc1nc2ncccc2s1.
What is the InChIKey of 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is BIOPXWPVWZRPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C8H9N3.C8H7NO.C8H7NS.C7H6N2O.C7H6N2S.7C2H6/c1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-10-7-4-3-5-9-8(7)11(6)2;2*1-6-9-7-4-2-3-5-8(7)10-6;2*1-5-9-7-6(10-5)3-2-4-8-7;7*1-2/h3-6H,1-2H3;2*3-5H,1-2H3;2*2-5H,1H3;2*2-4H,1H3;7*1-2H3.
What are the key properties of 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine?
2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 1217.76 g/mol, XLogP of 19.96, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylimidazo[1,2-a]pyridine;bis(2,3-dimethylimidazo[4,5-b]pyridine);ethane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 157360441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).