2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole

C73H115N11OS3 — CID 159445385

IUPAC2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)c1ccc(C2CC2)s1.CC(C)(C)c1cccnc1.CC(C)C1=NCC=C1.CC(C)c1noc(C2CC2)n1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)c1.Cc1cc(C)n(C(C)C)n1.Cc1csc(C(C)C)n1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C11H16S.C9H15N.C9H13N.C8H12N2O.C8H14N2.C8H13NS.C7H11NS.C7H11N.C6H10N2/c1-11(2,3)10-7-6-9(12-10)8-4-5-8;1-7(2)10-6-8(3)5-9(10)4;1-9(2,3)8-5-4-6-10-7-8;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-8-6(3)4-9-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h6-8H,4-5H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3
InChIKeyLSRUZSUMPFLCAI-UHFFFAOYSA-N
MW1259.00 g/mol
LogP21.71
Rot. Bonds9

About 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole

2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole (PubChem CID 159445385) has the molecular formula C73H115N11OS3 and a molecular weight of 1259.00 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
PubChem CID159445385
Molecular FormulaC73H115N11OS3
Molecular Weight1259.00 g/mol
Exact Mass1257.84
IUPAC Name2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)c1ccc(C2CC2)s1.CC(C)(C)c1cccnc1.CC(C)C1=NCC=C1.CC(C)c1noc(C2CC2)n1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)c1.Cc1cc(C)n(C(C)C)n1.Cc1csc(C(C)C)n1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C11H16S.C9H15N.C9H13N.C8H12N2O.C8H14N2.C8H13NS.C7H11NS.C7H11N.C6H10N2/c1-11(2,3)10-7-6-9(12-10)8-4-5-8;1-7(2)10-6-8(3)5-9(10)4;1-9(2,3)8-5-4-6-10-7-8;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-8-6(3)4-9-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h6-8H,4-5H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3
InChIKeyLSRUZSUMPFLCAI-UHFFFAOYSA-N
XLogP21.71
TPSA130.52 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.00
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole with MolForge

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Related Compounds

2-tert-butyl-5-cyclopropylthiophene;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
CID 157562886
1,4-Ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
CID 158372933
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine
CID 158435799
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;1-(3-methylbutyl)pyrazole;1-(3-methylbutyl)pyrrole;5-(3-methylbutyl)-3H-pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;5-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazole;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-4-(2-methylpropyl)-1,2,5-oxadiazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrazole;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
CID 158623469
3,5-dimethyl-1-(3-methylbutyl)-1,2,4-triazole;5-(3-methylbutyl)-1H-imidazole;bis(1-(3-methylbutyl)pyrazole);1-(3-methylbutyl)pyrrole;2-(3-methylbutyl)-1,3-thiazole;1-(5-methylhexyl)pyrrole;3-methyl-1-(3-methylbutyl)pyrazole;2-methyl-1-(3-methylbutyl)pyrrole;4-methyl-1-(3-methylbutylsulfanyl)-2H-triazol-1-ium;2-methyl-1-(4-methylpentyl)imidazole;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;3-methyl-4-(2-methylpropyl)-1,2,5-oxadiazole;3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;3-methyl-5-(2-methylpropyl)-2H-pyrrole;1-(4-methylpentyl)piperidine;1-(4-methylpentyl)pyrrole;3-(4-methylpentyl)-1H-pyrrole;3-(2-methylpropyl)pyridine
CID 158784046
1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole
CID 159313784
tert-butylbenzene;5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-6-methylidenecyclohexa-1,3-diene;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 159600762
1-tert-butyl-4-cyclopropylimidazole;2-tert-butyl-1,4-dihydroimidazol-5-one;5-tert-butyl-4-fluoro-1H-pyrazole;3-tert-butyl-5-fluoropyridine;bis(1-tert-butylimidazole);5-tert-butyl-2-methylpyrimidine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butylthiophene;4-tert-butyl-2H-triazole
CID 160295857
1-Tert-butylimidazole;3-tert-butyl-1,2,4-oxadiazole;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
CID 160385639
4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-6-methylidenecyclohexa-1,3-diene;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 160721137
1,4-Di(propan-2-yl)imidazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;bis(1,4-di(propan-2-yl)pyrazole);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;1-methyl-2,4-di(propan-2-yl)imidazole;1,3,4-tri(propan-2-yl)pyrazole;1,2,3-tri(propan-2-yl)pyrrole;2,3,5-tri(propan-2-yl)thiophene
CID 160839005
1,2-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,3-dimethylpyrazole;2,6-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-4H-imidazole;2-methyl-1-(4-methylpyrazol-1-yl)propan-2-ol;2-methyl-1-(5-methyltetrazol-2-yl)propan-2-ol;2-methyl-1,3-thiazole;1,3,5-trimethylbenzene;3,4,5-trimethyl-2H-pyrrole
CID 161176227

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole?
The IUPAC name of 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole (CID 159445385) is 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole is CC(C)(C)c1ccc(C2CC2)s1.CC(C)(C)c1cccnc1.CC(C)C1=NCC=C1.CC(C)c1noc(C2CC2)n1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)c1.Cc1cc(C)n(C(C)C)n1.Cc1csc(C(C)C)n1.Cc1nc(C)c(C(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole?
The InChIKey is LSRUZSUMPFLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S.C9H15N.C9H13N.C8H12N2O.C8H14N2.C8H13NS.C7H11NS.C7H11N.C6H10N2/c1-11(2,3)10-7-6-9(12-10)8-4-5-8;1-7(2)10-6-8(3)5-9(10)4;1-9(2,3)8-5-4-6-10-7-8;1-5(2)7-9-8(11-10-7)6-3-4-6;1-6(2)10-8(4)5-7(3)9-10;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-8-6(3)4-9-7;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8/h6-8H,4-5H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,1-4H3;4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole?
2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole has a molecular weight of 1259.00 g/mol, XLogP of 21.71, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159445385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).