2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide

C18H25N3OS — CID 119779776

About 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide

2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide (PubChem CID 119779776) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
• PubChem CID: 119779776
• Molecular Formula: C18H25N3OS
• Molecular Weight: 331.49 g/mol
• Exact Mass: 331.17
• IUPAC Name: 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
• SMILES: CNCC(C)C(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C
• InChI: InChI=1S/C18H25N3OS/c1-11-6-8-15(9-7-11)18-21-14(4)16(23-18)13(3)20-17(22)12(2)10-19-5/h6-9,12-13,19H,10H2,1-5H3,(H,20,22)
• InChIKey: CYJZSCRIUZJRME-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.49
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?

The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide (CID 119779776) is 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide.

What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?

The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide is CNCC(C)C(=O)NC(C)c1sc(-c2ccc(C)cc2)nc1C.

What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?

The InChIKey is CYJZSCRIUZJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-11-6-8-15(9-7-11)18-21-14(4)16(23-18)13(3)20-17(22)12(2)10-19-5/h6-9,12-13,19H,10H2,1-5H3,(H,20,22).

What are the key properties of 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide?

2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide has a molecular weight of 331.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide is sourced from PubChem (CID 119779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).