5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

C19H17N3O2S2 — CID 7513064

About 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine

5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (PubChem CID 7513064) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• PubChem CID: 7513064
• Molecular Formula: C19H17N3O2S2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.08
• IUPAC Name: 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
• SMILES: COc1ccc2sc(Nc3nc(-c4ccc(OC)c(C)c4)cs3)nc2c1
• InChI: InChI=1S/C19H17N3O2S2/c1-11-8-12(4-6-16(11)24-3)15-10-25-18(21-15)22-19-20-14-9-13(23-2)5-7-17(14)26-19/h4-10H,1-3H3,(H,20,21,22)
• InChIKey: JSYHWBADQILHNQ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The IUPAC name of 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine (CID 7513064) is 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The canonical SMILES for 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is COc1ccc2sc(Nc3nc(-c4ccc(OC)c(C)c4)cs3)nc2c1.

What is the InChIKey of 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

The InChIKey is JSYHWBADQILHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11-8-12(4-6-16(11)24-3)15-10-25-18(21-15)22-19-20-14-9-13(23-2)5-7-17(14)26-19/h4-10H,1-3H3,(H,20,21,22).

What are the key properties of 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine?

5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine has a molecular weight of 383.50 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).