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

C120H209N17OS4 — CID 160839005

IUPAC1,4-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
SMILESCC(C)c1cc(C(C)C)c(C(C)C)s1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H23N.C13H22S.C12H22N2.C10H18N2.C10H16S.4C9H16N2.2C9H15NS.C8H14N2O/c1-9(2)12-7-8-14(11(5)6)13(12)10(3)4;1-8(2)11-7-12(9(3)4)14-13(11)10(5)6;1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h7-11H,1-6H3;2*7-10H,1-6H3;6-8H,1-5H3;5*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeySHTXJGNFDGJTQS-UHFFFAOYSA-N
MW2034.38 g/mol
LogP39.25
Rot. Bonds27

About 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

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 (PubChem CID 160839005) has the molecular formula C120H209N17OS4 and a molecular weight of 2034.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID160839005
Molecular FormulaC120H209N17OS4
Molecular Weight2034.38 g/mol
Exact Mass2032.57
IUPAC Name1,4-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
SMILESCC(C)c1cc(C(C)C)c(C(C)C)s1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1
InChIInChI=1S/C13H23N.C13H22S.C12H22N2.C10H18N2.C10H16S.4C9H16N2.2C9H15NS.C8H14N2O/c1-9(2)12-7-8-14(11(5)6)13(12)10(3)4;1-8(2)11-7-12(9(3)4)14-13(11)10(5)6;1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h7-11H,1-6H3;2*7-10H,1-6H3;6-8H,1-5H3;5*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeySHTXJGNFDGJTQS-UHFFFAOYSA-N
XLogP39.25
TPSA176.55 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.38
LogP ≤ 539.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c(C(C)C)s1.CC(C)c1ccc(C(C)C)s1.CC(C)c1ccn(C(C)C)c1C(C)C.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1csc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.
What is the InChIKey of 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?
The InChIKey is SHTXJGNFDGJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.C13H22S.C12H22N2.C10H18N2.C10H16S.4C9H16N2.2C9H15NS.C8H14N2O/c1-9(2)12-7-8-14(11(5)6)13(12)10(3)4;1-8(2)11-7-12(9(3)4)14-13(11)10(5)6;1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;1-7(2)9-6-12(5)10(11-9)8(3)4;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;2*1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-8(6(3)4)11-10-7/h7-11H,1-6H3;2*7-10H,1-6H3;6-8H,1-5H3;5*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2034.38 g/mol, XLogP of 39.25, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160839005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).