2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

C92H136N8O5S2 — CID 157217434

IUPAC2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnoc1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C12H14S.C9H15N.2C9H13N.C8H12N2.2C8H12O.C8H12S.3C7H11NO/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyASOULSBIQZNRFK-UHFFFAOYSA-N
MW1498.28 g/mol
LogP27.17
Rot. Bonds

About 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (PubChem CID 157217434) has the molecular formula C92H136N8O5S2 and a molecular weight of 1498.28 g/mol. Its IUPAC name is 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
PubChem CID157217434
Molecular FormulaC92H136N8O5S2
Molecular Weight1498.28 g/mol
Exact Mass1497.01
IUPAC Name2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnoc1.Cn1cccc1C(C)(C)C
InChIInChI=1S/C12H14S.C9H15N.2C9H13N.C8H12N2.2C8H12O.C8H12S.3C7H11NO/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyASOULSBIQZNRFK-UHFFFAOYSA-N
XLogP27.17
TPSA160.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.28
LogP ≤ 527.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157189504
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;5-methyl-3H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157516756
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
Cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157836986
2,2-Dimethylhexan-3-ylbenzene;1-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,3-oxazole;5-(2,2-dimethylhexan-3-yl)-1,2-oxazole;2-(2,2-dimethylhexan-3-yl)pyridine;2-(2,2-dimethylhexan-3-yl)thiophene;3-(2,2-dimethylhexan-3-yl)thiophene
CID 157926806
1,4-Ditert-butylbenzene;2,5-ditert-butylfuran;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylpyrazine;bis(2,5-ditert-butylpyridine);2,5-ditert-butylthiophene
CID 157933400
4,5-Dihydro-1,2-oxazole;ethane;3-methyl-4,5-dihydro-1,2-oxazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;1,2-oxazole;thiophene
CID 157998331
Bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 158237445
Bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene
CID 158260150
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene
CID 158273706
Cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158359153

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The IUPAC name of 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (CID 157217434) is 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.
What is the SMILES notation for 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The canonical SMILES for 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnoc1.Cn1cccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The InChIKey is ASOULSBIQZNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S.C9H15N.2C9H13N.C8H12N2.2C8H12O.C8H12S.3C7H11NO/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6/h4-8H,1-3H3;5-7H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;3*4-5H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene has a molecular weight of 1498.28 g/mol, XLogP of 27.17, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is sourced from PubChem (CID 157217434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).