ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C74H170N14O3S3 — CID 159866915

IUPACethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cn1ccnc1
InChIInChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6.14CH4/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-3-6-5-4;10*1-2;;;;;;;;;;;;;;/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3;14*1H4
InChIKeyNRVORUNZCSZAKP-UHFFFAOYSA-N
MW1400.47 g/mol
LogP29.05
Rot. Bonds

About ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159866915) has the molecular formula C74H170N14O3S3 and a molecular weight of 1400.47 g/mol. Its IUPAC name is ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID159866915
Molecular FormulaC74H170N14O3S3
Molecular Weight1400.47 g/mol
Exact Mass1399.27
IUPAC Nameethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cn1ccnc1
InChIInChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6.14CH4/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-3-6-5-4;10*1-2;;;;;;;;;;;;;;/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3;14*1H4
InChIKeyNRVORUNZCSZAKP-UHFFFAOYSA-N
XLogP29.05
TPSA220.62 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.47
LogP ≤ 529.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 157139199
ethane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;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 157238350
ethane;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 157356514
ethane;methane;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methyl-3H-pyrrole;4-methyl-3H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 157580533
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;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 157764281
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
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
ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-4H-imidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158233613
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;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
CID 158359741
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;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158499740
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;4-methyl-1H-pyrazole;bis(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 158528337
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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158707550

Frequently Asked Questions

What is the IUPAC name of ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159866915) is ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cn1ccnc1.
What is the InChIKey of ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is NRVORUNZCSZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6.14CH4/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-3-6-5-4;10*1-2;;;;;;;;;;;;;;/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3;14*1H4.
What are the key properties of ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1400.47 g/mol, XLogP of 29.05, 0 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;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;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159866915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).