3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine

C43H67N7OS2 — CID 159071955

IUPAC3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine
SMILESCC(C)(C)c1ccoc1.CC(C)(C)c1cncs1.CC(C)(C)c1cnsc1.CC(C)c1cccnc1.Cc1ccnn1C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C8H14N2.C8H11N.C8H12O.2C7H11NS.C5H8N2/c1-8(2,3)7-5-9-10(4)6-7;1-7(2)8-4-3-5-9-6-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-5-3-4-6-7(5)2/h5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;3-4H,1-2H3
InChIKeyJZTOAGUVNDFAMP-UHFFFAOYSA-N
MW762.19 g/mol
LogP12.11
Rot. Bonds1

About 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine

3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine (PubChem CID 159071955) has the molecular formula C43H67N7OS2 and a molecular weight of 762.19 g/mol. Its IUPAC name is 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine.

Molecular Properties

Compound Name3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine
PubChem CID159071955
Molecular FormulaC43H67N7OS2
Molecular Weight762.19 g/mol
Exact Mass761.48
IUPAC Name3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine
SMILESCC(C)(C)c1ccoc1.CC(C)(C)c1cncs1.CC(C)(C)c1cnsc1.CC(C)c1cccnc1.Cc1ccnn1C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C8H14N2.C8H11N.C8H12O.2C7H11NS.C5H8N2/c1-8(2,3)7-5-9-10(4)6-7;1-7(2)8-4-3-5-9-6-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-5-3-4-6-7(5)2/h5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;3-4H,1-2H3
InChIKeyJZTOAGUVNDFAMP-UHFFFAOYSA-N
XLogP12.11
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.19
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole
CID 157213181
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157409228
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,3-xylene
CID 157577463
1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;bis(2-methyl-4-propan-2-ylpyridine);4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 157604148
3-tert-butylfuran;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;2-ethyl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157665999
cyclopenta-1,3-diene;ethane;furan;2-methylpyridine;3-methylpyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene;toluene
CID 157694900
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,4-xylene
CID 157753156
1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-2H-pyrrole;3-propan-2-ylthiophene
CID 157925490
1-Benzothiophene;decakis(2,2-dimethylpropane);ethane;1-ethylpyrazole;2-methylfuran;2-methylpropane;bis(1-methylpyrazole);1-methylpyrrole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;tris(2-methylthiophene)
CID 157967270

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine?
The IUPAC name of 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine (CID 159071955) is 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine.
What is the SMILES notation for 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine?
The canonical SMILES for 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine is CC(C)(C)c1ccoc1.CC(C)(C)c1cncs1.CC(C)(C)c1cnsc1.CC(C)c1cccnc1.Cc1ccnn1C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine?
The InChIKey is JZTOAGUVNDFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H11N.C8H12O.2C7H11NS.C5H8N2/c1-8(2,3)7-5-9-10(4)6-7;1-7(2)8-4-3-5-9-6-8;1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-5-3-4-6-7(5)2/h5-6H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;2*4-5H,1-3H3;3-4H,1-2H3.
What are the key properties of 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine?
3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine has a molecular weight of 762.19 g/mol, XLogP of 12.11, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuran;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;1,5-dimethylpyrazole;3-propan-2-ylpyridine is sourced from PubChem (CID 159071955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).