methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole

C123H226N6OS2 — CID 158526081

IUPACmethane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole
SMILESC.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CN1C(C(C)(C)C)=C(C(C)(C)C)C2CN(C(C)(C)C)CCC21.Cc1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C(C)(C)C.Cc1c(C(C)(C)C)oc(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)cc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C20H38N2.2C18H33N.C17H31N.C17H30O.C17H30S.C15H27NS.CH4/c1-18(2,3)16-14-13-22(20(7,8)9)12-11-15(14)21(10)17(16)19(4,5)6;1-12-13(16(2,3)4)14(17(5,6)7)15(19(12)11)18(8,9)10;1-12-13(16(2,3)4)15(18(8,9)10)19(11)14(12)17(5,6)7;1-15(2,3)12-11-13(16(4,5)6)18(10)14(12)17(7,8)9;2*1-11-12(15(2,3)4)14(17(8,9)10)18-13(11)16(5,6)7;1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h14-15H,11-13H2,1-10H3;2*1-11H3;11H,1-10H3;2*1-10H3;1-9H3;1H4
InChIKeyHMUKYUWHMJJTKO-UHFFFAOYSA-N
MW1869.34 g/mol
LogP37.24
Rot. Bonds

About methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole

methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole (PubChem CID 158526081) has the molecular formula C123H226N6OS2 and a molecular weight of 1869.34 g/mol. Its IUPAC name is methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole.

Molecular Properties

Compound Namemethane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole
PubChem CID158526081
Molecular FormulaC123H226N6OS2
Molecular Weight1869.34 g/mol
Exact Mass1867.73
IUPAC Namemethane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole
SMILESC.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CN1C(C(C)(C)C)=C(C(C)(C)C)C2CN(C(C)(C)C)CCC21.Cc1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C(C)(C)C.Cc1c(C(C)(C)C)oc(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)cc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C20H38N2.2C18H33N.C17H31N.C17H30O.C17H30S.C15H27NS.CH4/c1-18(2,3)16-14-13-22(20(7,8)9)12-11-15(14)21(10)17(16)19(4,5)6;1-12-13(16(2,3)4)14(17(5,6)7)15(19(12)11)18(8,9)10;1-12-13(16(2,3)4)15(18(8,9)10)19(11)14(12)17(5,6)7;1-15(2,3)12-11-13(16(4,5)6)18(10)14(12)17(7,8)9;2*1-11-12(15(2,3)4)14(17(8,9)10)18-13(11)16(5,6)7;1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h14-15H,11-13H2,1-10H3;2*1-11H3;11H,1-10H3;2*1-10H3;1-9H3;1H4
InChIKeyHMUKYUWHMJJTKO-UHFFFAOYSA-N
XLogP37.24
TPSA47.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001869.34
LogP ≤ 537.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole?
The IUPAC name of methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole (CID 158526081) is methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole.
What is the SMILES notation for methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole?
The canonical SMILES for methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole is C.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CN1C(C(C)(C)C)=C(C(C)(C)C)C2CN(C(C)(C)C)CCC21.Cc1c(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)n1C.Cc1c(C(C)(C)C)c(C(C)(C)C)n(C)c1C(C)(C)C.Cc1c(C(C)(C)C)oc(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C(C)(C)C.Cn1c(C(C)(C)C)cc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole?
The InChIKey is HMUKYUWHMJJTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2.2C18H33N.C17H31N.C17H30O.C17H30S.C15H27NS.CH4/c1-18(2,3)16-14-13-22(20(7,8)9)12-11-15(14)21(10)17(16)19(4,5)6;1-12-13(16(2,3)4)14(17(5,6)7)15(19(12)11)18(8,9)10;1-12-13(16(2,3)4)15(18(8,9)10)19(11)14(12)17(5,6)7;1-15(2,3)12-11-13(16(4,5)6)18(10)14(12)17(7,8)9;2*1-11-12(15(2,3)4)14(17(8,9)10)18-13(11)16(5,6)7;1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;/h14-15H,11-13H2,1-10H3;2*1-11H3;11H,1-10H3;2*1-10H3;1-9H3;1H4.
What are the key properties of methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole?
methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole has a molecular weight of 1869.34 g/mol, XLogP of 37.24, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,4-tritert-butyl-1,5-dimethylpyrrole;2,3,5-tritert-butyl-1,4-dimethylpyrrole;2,3,5-tritert-butyl-1-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,2-c]pyridine;2,3,5-tritert-butyl-4-methylfuran;2,3,5-tritert-butyl-1-methylpyrrole;2,3,5-tritert-butyl-4-methylthiophene;2,4,5-tritert-butyl-1,3-thiazole is sourced from PubChem (CID 158526081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).