4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride

C19H20ClN3O2S — CID 141248401

About 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride

4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 141248401) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 141248401
• Molecular Formula: C19H20ClN3O2S
• Molecular Weight: 389.91 g/mol
• Exact Mass: 389.10
• IUPAC Name: 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
• SMILES: COc1cc(-c2csc(Nc3ccccn3)n2)cc2c1OC(C)(C)C2.Cl
• InChI: InChI=1S/C19H19N3O2S.ClH/c1-19(2)10-13-8-12(9-15(23-3)17(13)24-19)14-11-25-18(21-14)22-16-6-4-5-7-20-16;/h4-9,11H,10H2,1-3H3,(H,20,21,22);1H
• InChIKey: WSILDPPGVNNTPV-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 56.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.91
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride (CID 141248401) is 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride is COc1cc(-c2csc(Nc3ccccn3)n2)cc2c1OC(C)(C)C2.Cl.

What is the InChIKey of 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is WSILDPPGVNNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S.ClH/c1-19(2)10-13-8-12(9-15(23-3)17(13)24-19)14-11-25-18(21-14)22-16-6-4-5-7-20-16;/h4-9,11H,10H2,1-3H3,(H,20,21,22);1H.

What are the key properties of 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?

4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 141248401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).