propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

C66H104N8O2S4 — CID 162282174

IUPACpropan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CCCC1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)n1cccc1
InChIInChI=1S/C8H16.C7H11N.C7H10O.2C7H10S.2C6H10N2.C6H9NO.2C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyOHUXCDZADZIXJE-UHFFFAOYSA-N
MW1169.88 g/mol
LogP22.44
Rot. Bonds10

About propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene

propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 162282174) has the molecular formula C66H104N8O2S4 and a molecular weight of 1169.88 g/mol. Its IUPAC name is propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namepropan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID162282174
Molecular FormulaC66H104N8O2S4
Molecular Weight1169.88 g/mol
Exact Mass1168.72
IUPAC Namepropan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)C1CCCC1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)n1cccc1
InChIInChI=1S/C8H16.C7H11N.C7H10O.2C7H10S.2C6H10N2.C6H9NO.2C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyOHUXCDZADZIXJE-UHFFFAOYSA-N
XLogP22.44
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.88
LogP ≤ 522.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(furan-2-yl)-1-(1H-pyrazol-5-yl)-4-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiophen-1-yl]-1,2-oxazole
CID 141290849
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
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
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole
CID 157213181
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157460024
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
3-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157847250
bis(4,5-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazole);N,N-dimethyl-2-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide;2-ethylfuran;5-ethyl-3-methyl-1,2-oxazole;2-ethyl-1-methylpyrrole;2-ethyl-5-methylthiophene;2-ethylthiophene;3-ethylthiophene;2-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide;tris(4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole)
CID 157994581
Bis(2,4-di(propan-2-yl)furan);2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(2,4-di(propan-2-yl)-1,3-oxazole);bis(2,5-di(propan-2-yl)-1,3-oxazole);bis(3,5-di(propan-2-yl)-1,2-oxazole);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);bis(2,4-di(propan-2-yl)thiophene);2,5-di(propan-2-yl)thiophene
CID 158034974
1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158152705

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 162282174) is propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)C1CCCC1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cn[nH]c1.CC(C)c1cncs1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)n1cccc1.
What is the InChIKey of propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is OHUXCDZADZIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H11N.C7H10O.2C7H10S.2C6H10N2.C6H9NO.2C6H9NS/c2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-7-4-8-6/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3.
What are the key properties of propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene?
propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1169.88 g/mol, XLogP of 22.44, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 162282174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).