N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C25H31N3O3S — CID 3170750

About N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3170750) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 3170750
• Molecular Formula: C25H31N3O3S
• Molecular Weight: 453.61 g/mol
• Exact Mass: 453.21
• IUPAC Name: N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
• SMILES: CCN(CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(OC)cc2)cs1
• InChI: InChI=1S/C25H31N3O3S/c1-5-27(6-2)16-7-17-28(24(29)20-10-14-22(31-4)15-11-20)25-26-23(18-32-25)19-8-12-21(30-3)13-9-19/h8-15,18H,5-7,16-17H2,1-4H3
• InChIKey: DHKXDKGYBXRXQV-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.61
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 3170750) is N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(OC)cc2)cs1.

What is the InChIKey of N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is DHKXDKGYBXRXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-5-27(6-2)16-7-17-28(24(29)20-10-14-22(31-4)15-11-20)25-26-23(18-32-25)19-8-12-21(30-3)13-9-19/h8-15,18H,5-7,16-17H2,1-4H3.

What are the key properties of N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?

N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 453.61 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3170750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).