ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C70H130N12O3S3 — CID 158513033

IUPACethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C7H10O.C7H10S.2C6H11N3.C6H10N2.2C6H9NO.2C6H9NS.7C2H6/c2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;7*1-2/h2*3-6H,1-2H3;2*4H,1-3H3,(H,7,8,9);3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyHLHHNBWSUDVCDU-UHFFFAOYSA-N
MW1284.09 g/mol
LogP24.52
Rot. Bonds9

About ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 158513033) has the molecular formula C70H130N12O3S3 and a molecular weight of 1284.09 g/mol. Its IUPAC name is ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Nameethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID158513033
Molecular FormulaC70H130N12O3S3
Molecular Weight1284.09 g/mol
Exact Mass1282.96
IUPAC Nameethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1
InChIInChI=1S/C7H10O.C7H10S.2C6H11N3.C6H10N2.2C6H9NO.2C6H9NS.7C2H6/c2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;7*1-2/h2*3-6H,1-2H3;2*4H,1-3H3,(H,7,8,9);3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyHLHHNBWSUDVCDU-UHFFFAOYSA-N
XLogP24.52
TPSA191.94 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.09
LogP ≤ 524.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Related Compounds

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CID 161555264
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
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3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
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2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(2H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrimidin-2-yl]-1,3-oxazole
CID 141015432
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
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2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;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;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;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;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
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2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
tert-butylcyclopentane;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;4-tert-butyl-4H-imidazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-oxazolidine;3-tert-butyl-1,3-oxazolidine;4-tert-butyl-1,3-oxazolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;5-tert-butyl-5H-tetrazole;2-tert-butylthiolane;3-tert-butylthiolane;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;3-tert-butyl-3H-1,2,4-triazole;4-tert-butyl-4H-triazole;5-tert-butyl-1H-1,2,4-triazole
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2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
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2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 158513033) is ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)n1cccn1.Cc1n[nH]nc1C(C)C.Cc1nc(C(C)C)n[nH]1.
What is the InChIKey of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is HLHHNBWSUDVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C7H10S.2C6H11N3.C6H10N2.2C6H9NO.2C6H9NS.7C2H6/c2*1-6(2)7-4-3-5-8-7;1-4(2)6-7-5(3)8-9-6;1-4(2)6-5(3)7-9-8-6;1-6(2)8-5-3-4-7-8;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;7*1-2/h2*3-6H,1-2H3;2*4H,1-3H3,(H,7,8,9);3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3.
What are the key properties of ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1284.09 g/mol, XLogP of 24.52, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-propan-2-yl-2H-triazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 158513033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).