5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide

C18H22N4OS2 — CID 92588187

About 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide

5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide (PubChem CID 92588187) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
• PubChem CID: 92588187
• Molecular Formula: C18H22N4OS2
• Molecular Weight: 374.54 g/mol
• Exact Mass: 374.12
• IUPAC Name: 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide
• SMILES: CCc1nn(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)c1C
• InChI: InChI=1S/C18H22N4OS2/c1-5-14-12(3)16(22(4)21-14)17(23)20-15(8-13-6-7-24-10-13)18-19-11(2)9-25-18/h6-7,9-10,15H,5,8H2,1-4H3,(H,20,23)/t15-/m0/s1
• InChIKey: XVIMQIAVJLSMTI-HNNXBMFYSA-N
• XLogP: 3.83
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?

The IUPAC name of 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide (CID 92588187) is 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?

The canonical SMILES for 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide is CCc1nn(C)c(C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)c1C.

What is the InChIKey of 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?

The InChIKey is XVIMQIAVJLSMTI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-5-14-12(3)16(22(4)21-14)17(23)20-15(8-13-6-7-24-10-13)18-19-11(2)9-25-18/h6-7,9-10,15H,5,8H2,1-4H3,(H,20,23)/t15-/m0/s1.

What are the key properties of 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide?

5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide has a molecular weight of 374.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2,4-dimethyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 92588187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).