3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide

C24H25N3O4S — CID 16763785

About 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide (PubChem CID 16763785) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide
• PubChem CID: 16763785
• Molecular Formula: C24H25N3O4S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.16
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide
• SMILES: O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nc(CN3CCOCC3)cs2)cc1
• InChI: InChI=1S/C24H25N3O4S/c28-23(8-2-17-1-7-21-22(13-17)31-16-30-21)25-19-5-3-18(4-6-19)24-26-20(15-32-24)14-27-9-11-29-12-10-27/h1,3-7,13,15H,2,8-12,14,16H2,(H,25,28)
• InChIKey: DNFWJBHPNDESGJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide (CID 16763785) is 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nc(CN3CCOCC3)cs2)cc1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide?

The InChIKey is DNFWJBHPNDESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-23(8-2-17-1-7-21-22(13-17)31-16-30-21)25-19-5-3-18(4-6-19)24-26-20(15-32-24)14-27-9-11-29-12-10-27/h1,3-7,13,15H,2,8-12,14,16H2,(H,25,28).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide?

3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide has a molecular weight of 451.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-N-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]propanamide is sourced from PubChem (CID 16763785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).