N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

C19H18N4O3S — CID 73387508

About N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 73387508) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
• PubChem CID: 73387508
• Molecular Formula: C19H18N4O3S
• Molecular Weight: 382.45 g/mol
• Exact Mass: 382.11
• IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
• SMILES: COc1cccc2sc(Nc3nnc(-c4ccc(OC(C)C)cc4)o3)nc12
• InChI: InChI=1S/C19H18N4O3S/c1-11(2)25-13-9-7-12(8-10-13)17-22-23-18(26-17)21-19-20-16-14(24-3)5-4-6-15(16)27-19/h4-11H,1-3H3,(H,20,21,23)
• InChIKey: ZLEWWXQJQIYTSR-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.45
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?

The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 73387508) is N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?

The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is COc1cccc2sc(Nc3nnc(-c4ccc(OC(C)C)cc4)o3)nc12.

What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?

The InChIKey is ZLEWWXQJQIYTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11(2)25-13-9-7-12(8-10-13)17-22-23-18(26-17)21-19-20-16-14(24-3)5-4-6-15(16)27-19/h4-11H,1-3H3,(H,20,21,23).

What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine?

N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 382.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 73387508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).