2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile

C102H165FN16OS2 — CID 162092873

About 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile

2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile (PubChem CID 162092873) has the molecular formula C102H165FN16OS2 and a molecular weight of 1714.68 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile.

Molecular Properties

• Compound Name: 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile
• PubChem CID: 162092873
• Molecular Formula: C102H165FN16OS2
• Molecular Weight: 1714.68 g/mol
• Exact Mass: 1713.28
• IUPAC Name: 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile
• SMILES: CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.Cc1cc(C(C)C)n(C(C)C)c1C#N.Cc1cc(C(C)C)n(C(C)C)n1.Cc1ccc(C(C)C)n1C(C)C
• InChI: InChI=1S/C13H17NS.C12H18N2.C11H19N.C11H17N.C10H18N2.C10H16N2.C9H14FNS.C9H16N2.C9H15NO.C8H15N3/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-6-10(5)12(7-13)14(11)9(3)4;1-8(2)11-7-6-10(5)12(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-5(2)7-8(10)11-9(12-7)6(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-9H,1-4H3;6,8-9H,1-5H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3
• InChIKey: ZDVVCOKQEPTLDU-UHFFFAOYSA-N
• XLogP: 31.45
• TPSA: 201.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.68
LogP ≤ 5	31.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile?

The IUPAC name of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile (CID 162092873) is 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile.

What is the SMILES notation for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile?

The canonical SMILES for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccnc(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1nc(F)c(C(C)C)s1.CC(C)c1nc2cccc(C(C)C)c2s1.Cc1cc(C(C)C)n(C(C)C)c1C#N.Cc1cc(C(C)C)n(C(C)C)n1.Cc1ccc(C(C)C)n1C(C)C.

What is the InChIKey of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile?

The InChIKey is ZDVVCOKQEPTLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C12H18N2.C11H19N.C11H17N.C10H18N2.C10H16N2.C9H14FNS.C9H16N2.C9H15NO.C8H15N3/c1-8(2)10-6-5-7-11-12(10)15-13(14-11)9(3)4;1-8(2)11-6-10(5)12(7-13)14(11)9(3)4;1-8(2)11-7-6-10(5)12(11)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-7(2)10-6-9(5)11-12(10)8(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-5(2)7-8(10)11-9(12-7)6(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-5-11(7(3)4)10-9-8/h5-9H,1-4H3;6,8-9H,1-5H3;6-9H,1-5H3;5-9H,1-4H3;6-8H,1-5H3;5-8H,1-4H3;5-6H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3.

What are the key properties of 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile?

2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile has a molecular weight of 1714.68 g/mol, XLogP of 31.45, 20 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-di(propan-2-yl)-1,3-benzothiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;2,4-di(propan-2-yl)pyridine;1,4-di(propan-2-yl)triazole;4-fluoro-2,5-di(propan-2-yl)-1,3-thiazole;3-methyl-1,5-di(propan-2-yl)pyrazole;2-methyl-1,5-di(propan-2-yl)pyrrole;3-methyl-1,5-di(propan-2-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 162092873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).