2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole

C71H103N9O3S4 — CID 158390712

About 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole

2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole (PubChem CID 158390712) has the molecular formula C71H103N9O3S4 and a molecular weight of 1258.93 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole
• PubChem CID: 158390712
• Molecular Formula: C71H103N9O3S4
• Molecular Weight: 1258.93 g/mol
• Exact Mass: 1257.71
• IUPAC Name: 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1cccs1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.c1cocn1.c1cscn1
• InChI: InChI=1S/C13H15N.C11H13NS.C10H12N2S.C8H12S.C7H11NO.C6H10N2O.2C5H12.C3H3NO.C3H3NS/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-5(2,3)4;2*1-2-5-3-4-1/h4-9H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;2*1-4H3;2*1-3H
• InChIKey: GWXUAMNWEAMWKS-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 155.43 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.93
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole?

The IUPAC name of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole (CID 158390712) is 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole.

What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole?

The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1cccs1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.c1cocn1.c1cscn1.

What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole?

The InChIKey is GWXUAMNWEAMWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H13NS.C10H12N2S.C8H12S.C7H11NO.C6H10N2O.2C5H12.C3H3NO.C3H3NS/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-5(2,3)4;2*1-2-5-3-4-1/h4-9H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;2*1-4H3;2*1-3H.

What are the key properties of 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole?

2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole has a molecular weight of 1258.93 g/mol, XLogP of 22.42, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylquinoline;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butylthiophene;bis(2,2-dimethylpropane);1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 158390712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).