5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

C61H112N10O4S4 — CID 158824006

About 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole

5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (PubChem CID 158824006) has the molecular formula C61H112N10O4S4 and a molecular weight of 1177.90 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• PubChem CID: 158824006
• Molecular Formula: C61H112N10O4S4
• Molecular Weight: 1177.90 g/mol
• Exact Mass: 1176.78
• IUPAC Name: 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC(C)(C)c1cncs1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1
• InChI: InChI=1S/C7H11NS.C6H10N2O.C6H10N2S.3C6H9NO.2C6H9NS.6C2H6/c1-7(2,3)6-4-8-5-9-6;2*1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;6*1-2/h4-5H,1-3H3;2*4H,1-3H3;5*3-5H,1-2H3;6*1-2H3
• InChIKey: IWFNAGADEXUOHB-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 181.46 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.90
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The IUPAC name of 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole (CID 158824006) is 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC(C)(C)c1cncs1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1cscn1.CC(C)c1ncco1.CC(C)c1nccs1.Cc1noc(C(C)C)n1.Cc1nsc(C(C)C)n1.

What is the InChIKey of 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

The InChIKey is IWFNAGADEXUOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.C6H10N2O.C6H10N2S.3C6H9NO.2C6H9NS.6C2H6/c1-7(2,3)6-4-8-5-9-6;2*1-4(2)6-7-5(3)8-9-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;6*1-2/h4-5H,1-3H3;2*4H,1-3H3;5*3-5H,1-2H3;6*1-2H3.

What are the key properties of 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole?

5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole has a molecular weight of 1177.90 g/mol, XLogP of 22.00, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,3-thiazole;ethane;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158824006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).