2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine

C74H109N9O7S2 — CID 158799852

About 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine

2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine (PubChem CID 158799852) has the molecular formula C74H109N9O7S2 and a molecular weight of 1300.88 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine.

Molecular Properties

• Compound Name: 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine
• PubChem CID: 158799852
• Molecular Formula: C74H109N9O7S2
• Molecular Weight: 1300.88 g/mol
• Exact Mass: 1299.79
• IUPAC Name: 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine
• SMILES: CC(C)CN1CCOCC1.CC(C)COc1ccccc1.CC(C)COc1cccnc1.CC(C)COc1cccnc1.CC(C)COc1nc2ccccc2s1.CC(C)COc1ncccn1.CC(C)Cn1ccnc1.Cc1nc2cc(OCC(C)C)ccc2s1
• InChI: InChI=1S/C12H15NOS.C11H13NOS.C10H14O.2C9H13NO.C8H12N2O.C8H17NO.C7H12N2/c1-8(2)7-14-10-4-5-12-11(6-10)13-9(3)15-12;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-9(2)8-11-10-6-4-3-5-7-10;2*1-8(2)7-11-9-4-3-5-10-6-9;1-7(2)6-11-8-9-4-3-5-10-8;1-8(2)7-9-3-5-10-6-4-9;1-7(2)5-9-4-3-8-6-9/h4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;8H,3-7H2,1-2H3;3-4,6-7H,5H2,1-2H3
• InChIKey: ITIOGVIKESADQW-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 163.01 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1300.88
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine?

The IUPAC name of 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine (CID 158799852) is 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine.

What is the SMILES notation for 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine?

The canonical SMILES for 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine is CC(C)CN1CCOCC1.CC(C)COc1ccccc1.CC(C)COc1cccnc1.CC(C)COc1cccnc1.CC(C)COc1nc2ccccc2s1.CC(C)COc1ncccn1.CC(C)Cn1ccnc1.Cc1nc2cc(OCC(C)C)ccc2s1.

What is the InChIKey of 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine?

The InChIKey is ITIOGVIKESADQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS.C11H13NOS.C10H14O.2C9H13NO.C8H12N2O.C8H17NO.C7H12N2/c1-8(2)7-14-10-4-5-12-11(6-10)13-9(3)15-12;1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11;1-9(2)8-11-10-6-4-3-5-7-10;2*1-8(2)7-11-9-4-3-5-10-6-9;1-7(2)6-11-8-9-4-3-5-10-8;1-8(2)7-9-3-5-10-6-4-9;1-7(2)5-9-4-3-8-6-9/h4-6,8H,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;8H,3-7H2,1-2H3;3-4,6-7H,5H2,1-2H3.

What are the key properties of 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine?

2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine has a molecular weight of 1300.88 g/mol, XLogP of 17.95, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(2-methylpropoxy)-1,3-benzothiazole;2-methylpropoxybenzene;2-(2-methylpropoxy)-1,3-benzothiazole;bis(3-(2-methylpropoxy)pyridine);2-(2-methylpropoxy)pyrimidine;1-(2-methylpropyl)imidazole;4-(2-methylpropyl)morpholine is sourced from PubChem (CID 158799852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).