N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide

C17H21N3O2S2 — CID 39024795

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide (PubChem CID 39024795) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide.

Molecular Properties

• Compound Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
• PubChem CID: 39024795
• Molecular Formula: C17H21N3O2S2
• Molecular Weight: 363.51 g/mol
• Exact Mass: 363.11
• IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
• SMILES: CCc1ccc(CCC(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1
• InChI: InChI=1S/C17H21N3O2S2/c1-3-12-4-6-13(7-5-12)8-9-15(22)20-17-19-11(2)16(24-17)23-10-14(18)21/h4-7H,3,8-10H2,1-2H3,(H2,18,21)(H,19,20,22)
• InChIKey: JJMDDYONKYQIBQ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 85.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.51
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?

The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide (CID 39024795) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide.

What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?

The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)Nc2nc(C)c(SCC(N)=O)s2)cc1.

What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?

The InChIKey is JJMDDYONKYQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-3-12-4-6-13(7-5-12)8-9-15(22)20-17-19-11(2)16(24-17)23-10-14(18)21/h4-7H,3,8-10H2,1-2H3,(H2,18,21)(H,19,20,22).

What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide?

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 39024795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).