(2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

C18H22N4OS2 — CID 92563857

About (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

(2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 92563857) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
• PubChem CID: 92563857
• Molecular Formula: C18H22N4OS2
• Molecular Weight: 374.54 g/mol
• Exact Mass: 374.12
• IUPAC Name: (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
• SMILES: Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2ccnc2C)n1
• InChI: InChI=1S/C18H22N4OS2/c1-12(9-22-6-5-19-14(22)3)17(23)21-16(8-15-4-7-24-11-15)18-20-13(2)10-25-18/h4-7,10-12,16H,8-9H2,1-3H3,(H,21,23)/t12-,16-/m0/s1
• InChIKey: KPCSDJINZPLHGE-LRDDRELGSA-N
• XLogP: 3.75
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.54
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?

The IUPAC name of (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (CID 92563857) is (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

What is the SMILES notation for (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?

The canonical SMILES for (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H](C)Cn2ccnc2C)n1.

What is the InChIKey of (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?

The InChIKey is KPCSDJINZPLHGE-LRDDRELGSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-12(9-22-6-5-19-14(22)3)17(23)21-16(8-15-4-7-24-11-15)18-20-13(2)10-25-18/h4-7,10-12,16H,8-9H2,1-3H3,(H,21,23)/t12-,16-/m0/s1.

What are the key properties of (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?

(2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 374.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-methyl-3-(2-methylimidazol-1-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 92563857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).