bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane

C97H187N21O4S4 — CID 158074892

IUPACbis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C.Cc1nc[nH]c1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/5C5H8N2.4C5H7NO.4C5H7NS.C4H7N3.14C2H6/c2*1-4-5(2)7-3-6-4;3*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;14*1-2/h5*3H,1-2H3,(H,6,7);8*3H,1-2H3;1-2H3,(H,5,6,7);14*1-2H3
InChIKeyFMGDIEISJIZOIH-UHFFFAOYSA-N
MW1839.97 g/mol
LogP32.13
Rot. Bonds

About bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane

bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane (PubChem CID 158074892) has the molecular formula C97H187N21O4S4 and a molecular weight of 1839.97 g/mol. Its IUPAC name is bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane.

Molecular Properties

Compound Namebis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane
PubChem CID158074892
Molecular FormulaC97H187N21O4S4
Molecular Weight1839.97 g/mol
Exact Mass1838.40
IUPAC Namebis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C.Cc1nc[nH]c1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/5C5H8N2.4C5H7NO.4C5H7NS.C4H7N3.14C2H6/c2*1-4-5(2)7-3-6-4;3*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;14*1-2/h5*3H,1-2H3,(H,6,7);8*3H,1-2H3;1-2H3,(H,5,6,7);14*1-2H3
InChIKeyFMGDIEISJIZOIH-UHFFFAOYSA-N
XLogP32.13
TPSA340.65 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001839.97
LogP ≤ 532.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane with MolForge

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Related Compounds

3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157083907
1,2-dimethylimidazole;1,5-dimethylimidazole;bis(4,5-dimethyl-1H-imidazole);bis(3,4-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,3-oxazole);bis(1,5-dimethylpyrazole);bis(4,5-dimethyl-1H-pyrazole);1,5-dimethyltetrazole;bis(3,4-dimethyl-1,2-thiazole);bis(4,5-dimethyl-1,3-thiazole);1,5-dimethyltriazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;ethane
CID 157103557
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyloxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole
CID 157114843
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157203556
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 157697225
ethane;1H-imidazole;pentadecakis(2-methylpropane);1-methyl-5-propan-2-yltetrazole;1-methyl-4-propan-2-yltriazole;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;4-propan-2-yloxadiazole;5-propan-2-yloxatriazole;4-propan-2-ylthiadiazole;5-propan-2-ylthiatriazole;1H-pyrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 157702450
5-methyl-1H-imidazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole
CID 157823129
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157882205
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrazole;5-tert-butyl-1H-pyrazole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole
CID 157915053
ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 158120116
3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
CID 158131688
1-(1H-imidazol-5-yl)-N,N-bis(1H-imidazol-5-ylmethyl)methanamine;1-(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine;1-(1-methylimidazol-4-yl)-N,N-bis[(1-methylimidazol-4-yl)methyl]methanamine;1-(1-methylpyrazol-3-yl)-N,N-bis(1H-pyrazol-5-ylmethyl)methanamine;1-(1,2,5-oxadiazol-3-yl)-N,N-bis(1,2,5-oxadiazol-3-ylmethyl)methanamine;1-(1,3,4-oxadiazol-2-yl)-N,N-bis(1,3,4-oxadiazol-2-ylmethyl)methanamine;1-(1,2-oxazol-3-yl)-N,N-bis(1,2-oxazol-3-ylmethyl)methanamine;1-(1,3-oxazol-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine;1-(4H-pyrazol-3-yl)-N,N-bis(4H-pyrazol-3-ylmethyl)methanamine;1-(1,2,5-thiadiazol-3-yl)-N,N-bis(1,2,5-thiadiazol-3-ylmethyl)methanamine;1-(1,3,4-thiadiazol-2-yl)-N,N-bis(1,3,4-thiadiazol-2-ylmethyl)methanamine;1-(1,2-thiazol-3-yl)-N,N-bis(1,2-thiazol-3-ylmethyl)methanamine;1-(1,3-thiazol-4-yl)-N,N-bis(1,3-thiazol-4-ylmethyl)methanamine
CID 158177763

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane?
The IUPAC name of bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane (CID 158074892) is bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane.
What is the SMILES notation for bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane?
The canonical SMILES for bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1n[nH]nc1C.Cc1nc[nH]c1C.Cc1nc[nH]c1C.Cc1ncoc1C.Cc1ncoc1C.Cc1ncsc1C.Cc1ncsc1C.
What is the InChIKey of bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane?
The InChIKey is FMGDIEISJIZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C5H8N2.4C5H7NO.4C5H7NS.C4H7N3.14C2H6/c2*1-4-5(2)7-3-6-4;3*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-3-4(2)6-7-5-3;14*1-2/h5*3H,1-2H3,(H,6,7);8*3H,1-2H3;1-2H3,(H,5,6,7);14*1-2H3.
What are the key properties of bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane?
bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane has a molecular weight of 1839.97 g/mol, XLogP of 32.13, 0 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dimethyl-1H-imidazole);3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;bis(4,5-dimethyl-1,3-oxazole);tris(4,5-dimethyl-1H-pyrazole);3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;bis(4,5-dimethyl-1,3-thiazole);4,5-dimethyl-2H-triazole;ethane is sourced from PubChem (CID 158074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).