2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole

C153H225N15O3S7 — CID 160634684

IUPAC2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C13H15NS.C12H14N2S.C12H13NS.C11H12N2S.C11H18O.C10H17N.C10H16S.C9H16N2.C9H14S.2C8H14N2.2C8H13N.2C8H12O.C8H12S/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)9-6-7-10(12-9)11(3,4)5;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7/h4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;6-8H,1-5H3;5-8,11H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6,9H,1-3H3;3*4-6H,1-3H3
InChIKeyRIJPLNOBIWXTIN-UHFFFAOYSA-N
MW2547.05 g/mol
LogP48.93
Rot. Bonds17

About 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole

2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole (PubChem CID 160634684) has the molecular formula C153H225N15O3S7 and a molecular weight of 2547.05 g/mol. Its IUPAC name is 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole
PubChem CID160634684
Molecular FormulaC153H225N15O3S7
Molecular Weight2547.05 g/mol
Exact Mass2544.60
IUPAC Name2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)n1C
InChIInChI=1S/C13H15NS.C12H14N2S.C12H13NS.C11H12N2S.C11H18O.C10H17N.C10H16S.C9H16N2.C9H14S.2C8H14N2.2C8H13N.2C8H12O.C8H12S/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)9-6-7-10(12-9)11(3,4)5;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7/h4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;6-8H,1-5H3;5-8,11H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6,9H,1-3H3;3*4-6H,1-3H3
InChIKeyRIJPLNOBIWXTIN-UHFFFAOYSA-N
XLogP48.93
TPSA239.31 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002547.05
LogP ≤ 548.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole (CID 160634684) is 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole is CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1nc(-c2ccccc2)cs1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)C)[nH]1.CC(C)c1ccc(C(C)C)s1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1ncc(-c2ccccc2)s1.CC(C)c1ncc(-c2ccncc2)s1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(C(C)(C)C)s1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)o1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)C)n1C.
What is the InChIKey of 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is RIJPLNOBIWXTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H14N2S.C12H13NS.C11H12N2S.C11H18O.C10H17N.C10H16S.C9H16N2.C9H14S.2C8H14N2.2C8H13N.2C8H12O.C8H12S/c1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-9(2)12-13-8-11(14-12)10-6-4-3-5-7-10;1-8(2)11-13-7-10(14-11)9-3-5-12-6-4-9;1-8(2)9-6-7-10(12-9)11(3,4)5;2*1-7(2)9-5-6-10(11-9)8(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6(2)8-5-9-7(3)10(8)4;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7;1-6(2)8-5-4-7(3)9-8;1-8(2,3)7-5-4-6-9-7/h4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;6-8H,1-5H3;5-8,11H,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6,9H,1-3H3;3*4-6H,1-3H3.
What are the key properties of 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole?
2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole has a molecular weight of 2547.05 g/mol, XLogP of 48.93, 17 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 160634684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).