1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)

C177H260N14OS6 — CID 159775445

IUPAC1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)
SMILESCC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cn1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2nc(C(C)C)n(C)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C17H23N.C16H22N2.2C15H19NS.C14H20N2.C14H18O.C14H18S.C12H18.2C11H19N.C10H18N2.C10H17NS.2C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-11(2)15-7-6-13(9-17-15)14-8-16(12(3)4)18(5)10-14;2*1-10(2)12-5-7-13(8-6-12)14-9-17-15(16-14)11(3)4;1-9(2)11-6-7-12-13(8-11)16(5)14(15-12)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-6(2)9-8(5)11-10(12-9)7(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/h6-13H,1-5H3;6-12H,1-5H3;2*5-11H,1-4H3;6-10H,1-5H3;2*5-10H,1-4H3;5-10H,1-4H3;2*6-9H,1-5H3;6-8H,1-5H3;6-7H,1-5H3;2*5-7H,1-4H3
InChIKeyNGRGQLJKOSTMNM-UHFFFAOYSA-N
MW2792.53 g/mol
LogP56.66
Rot. Bonds32

About 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)

1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) (PubChem CID 159775445) has the molecular formula C177H260N14OS6 and a molecular weight of 2792.53 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole).

Molecular Properties

Compound Name1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)
PubChem CID159775445
Molecular FormulaC177H260N14OS6
Molecular Weight2792.53 g/mol
Exact Mass2789.90
IUPAC Name1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)
SMILESCC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cn1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2nc(C(C)C)n(C)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C17H23N.C16H22N2.2C15H19NS.C14H20N2.C14H18O.C14H18S.C12H18.2C11H19N.C10H18N2.C10H17NS.2C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-11(2)15-7-6-13(9-17-15)14-8-16(12(3)4)18(5)10-14;2*1-10(2)12-5-7-13(8-6-12)14-9-17-15(16-14)11(3)4;1-9(2)11-6-7-12-13(8-11)16(5)14(15-12)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-6(2)9-8(5)11-10(12-9)7(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/h6-13H,1-5H3;6-12H,1-5H3;2*5-11H,1-4H3;6-10H,1-5H3;2*5-10H,1-4H3;5-10H,1-4H3;2*6-9H,1-5H3;6-8H,1-5H3;6-7H,1-5H3;2*5-7H,1-4H3
InChIKeyNGRGQLJKOSTMNM-UHFFFAOYSA-N
XLogP56.66
TPSA145.84 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002792.53
LogP ≤ 556.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)?
The IUPAC name of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) (CID 159775445) is 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole).
What is the SMILES notation for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)?
The canonical SMILES for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) is CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1cc(C(C)C)n(C)c1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cc1.CC(C)c1ccc(-c2cc(C(C)C)n(C)c2)cn1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(-c2csc(C(C)C)n2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2nc(C(C)C)n(C)c2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2sc(C(C)C)cc2c1.CC(C)c1cn(C)c(C(C)C)n1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)n1.Cc1nc(C(C)C)sc1C(C)C.
What is the InChIKey of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)?
The InChIKey is NGRGQLJKOSTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C16H22N2.2C15H19NS.C14H20N2.C14H18O.C14H18S.C12H18.2C11H19N.C10H18N2.C10H17NS.2C9H15NS/c1-12(2)14-6-8-15(9-7-14)16-10-17(13(3)4)18(5)11-16;1-11(2)15-7-6-13(9-17-15)14-8-16(12(3)4)18(5)10-14;2*1-10(2)12-5-7-13(8-6-12)14-9-17-15(16-14)11(3)4;1-9(2)11-6-7-12-13(8-11)16(5)14(15-12)10(3)4;2*1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-6-11(9(3)4)12(5)7-10;1-7(2)9-6-12(5)10(11-9)8(3)4;1-6(2)9-8(5)11-10(12-9)7(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/h6-13H,1-5H3;6-12H,1-5H3;2*5-11H,1-4H3;6-10H,1-5H3;2*5-10H,1-4H3;5-10H,1-4H3;2*6-9H,1-5H3;6-8H,1-5H3;6-7H,1-5H3;2*5-7H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole)?
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) has a molecular weight of 2792.53 g/mol, XLogP of 56.66, 32 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1-benzothiophene;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,6-di(propan-2-yl)benzimidazole;1-methyl-2,4-di(propan-2-yl)imidazole;bis(1-methyl-2,4-di(propan-2-yl)pyrrole);4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole;5-(1-methyl-5-propan-2-ylpyrrol-3-yl)-2-propan-2-ylpyridine;bis(2-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazole) is sourced from PubChem (CID 159775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).