1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)

C56H84N4O2S4 — CID 160723635

IUPAC1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
SMILESCC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/2C8H13N.2C7H10O.2C7H10S.2C6H9NS/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;4*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyRTKPVGWPZGXCLI-UHFFFAOYSA-N
MW973.58 g/mol
LogP19.38
Rot. Bonds8

About 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)

1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) (PubChem CID 160723635) has the molecular formula C56H84N4O2S4 and a molecular weight of 973.58 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene).

Molecular Properties

Compound Name1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
PubChem CID160723635
Molecular FormulaC56H84N4O2S4
Molecular Weight973.58 g/mol
Exact Mass972.55
IUPAC Name1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
SMILESCC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1cscn1.CC(C)c1nccs1
InChIInChI=1S/2C8H13N.2C7H10O.2C7H10S.2C6H9NS/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;4*3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyRTKPVGWPZGXCLI-UHFFFAOYSA-N
XLogP19.38
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.58
LogP ≤ 519.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-1,4-dimethylpyrrole;2-chloro-4-methylfuran;2-chloro-4-methylthiophene;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1,4-dimethyl-2-(trifluoromethyl)pyrrole;4-methyl-2-(trifluoromethyl)furan;2-methyl-5-(trifluoromethyl)thiophene;4-methyl-2-(trifluoromethyl)thiophene
CID 161875321
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
1-[2-(Furan-2-yl)-3,4,5-trimethyl-5-(oxolan-2-yl)-4-(thiolan-2-yl)-2-(2-thiophen-2-ylpropan-2-yl)hexan-3-yl]pyrrole
CID 135138730
2,3-Bis[furan-2-yl(thiophen-2-yl)methyl]pyridine
CID 141174094
2-Methyl-3-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;3-methyl-4-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-yl-1,2-oxazol-2-ium;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene
CID 157091894
1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
Ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 157136170
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
CID 157358136
CID 157371056
CID 157371056
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
CID 157371707

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The IUPAC name of 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) (CID 160723635) is 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene).
What is the SMILES notation for 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The canonical SMILES for 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) is CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1cscn1.CC(C)c1nccs1.
What is the InChIKey of 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The InChIKey is RTKPVGWPZGXCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H13N.2C7H10O.2C7H10S.2C6H9NS/c1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;3*1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6/h2*4-7H,1-3H3;4*3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) has a molecular weight of 973.58 g/mol, XLogP of 19.38, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) is sourced from PubChem (CID 160723635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).