3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C27H27N3OS — CID 84565015

About 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 84565015) has the molecular formula C27H27N3OS and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 84565015
• Molecular Formula: C27H27N3OS
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.19
• IUPAC Name: 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1ccc(-c2csc(NC(=O)CCN(Cc3cccc4ccccc34)C3CC3)n2)cc1
• InChI: InChI=1S/C27H27N3OS/c1-19-9-11-21(12-10-19)25-18-32-27(28-25)29-26(31)15-16-30(23-13-14-23)17-22-7-4-6-20-5-2-3-8-24(20)22/h2-12,18,23H,13-17H2,1H3,(H,28,29,31)
• InChIKey: VVCFOUKZHZODBO-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 84565015) is 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCN(Cc3cccc4ccccc34)C3CC3)n2)cc1.

What is the InChIKey of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is VVCFOUKZHZODBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3OS/c1-19-9-11-21(12-10-19)25-18-32-27(28-25)29-26(31)15-16-30(23-13-14-23)17-22-7-4-6-20-5-2-3-8-24(20)22/h2-12,18,23H,13-17H2,1H3,(H,28,29,31).

What are the key properties of 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?

3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 441.60 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 84565015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).