2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

C24H37N5OS2 — CID 159234693

IUPAC2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C7H10O.C6H10N2.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyKTICGZUKQKFMPI-UHFFFAOYSA-N
MW475.73 g/mol
LogP7.86
Rot. Bonds4

About 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole

2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159234693) has the molecular formula C24H37N5OS2 and a molecular weight of 475.73 g/mol. Its IUPAC name is 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
PubChem CID159234693
Molecular FormulaC24H37N5OS2
Molecular Weight475.73 g/mol
Exact Mass475.24
IUPAC Name2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1nccs1.CC(C)c1nncs1
InChIInChI=1S/C7H10O.C6H10N2.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3
InChIKeyKTICGZUKQKFMPI-UHFFFAOYSA-N
XLogP7.86
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(furan-2-ylmethyl)-3-(1H-pyrazol-5-yl)-2-(1,2-thiazol-3-yl)propyl]-1,3-thiazole
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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
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
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
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-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
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1,2-Dimethyl-5-propan-2-ylpyrrole;methane;1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylaniline;2-propan-2-ylfuran;5-propan-2-yl-1,3-thiazole
CID 159524552
cumene;diiodovanadium;ethane;2-propan-2-ylfuran;1-propan-2-ylpyrazole;3-propan-2-ylpyridine;5-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 159652721
2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 159979213

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole (CID 159234693) is 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccco1.CC(C)c1ccn[nH]1.CC(C)c1nccs1.CC(C)c1nncs1.
What is the InChIKey of 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is KTICGZUKQKFMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C6H10N2.C6H9NS.C5H8N2S/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole?
2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 475.73 g/mol, XLogP of 7.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).