1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

C17H22N6O2S — CID 102559857

About 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea

1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (PubChem CID 102559857) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
• PubChem CID: 102559857
• Molecular Formula: C17H22N6O2S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.15
• IUPAC Name: 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
• SMILES: Cn1ccc(N2CCCC(NC(=O)NCc3nc(C4CC4)cs3)C2=O)n1
• InChI: InChI=1S/C17H22N6O2S/c1-22-8-6-14(21-22)23-7-2-3-12(16(23)24)20-17(25)18-9-15-19-13(10-26-15)11-4-5-11/h6,8,10-12H,2-5,7,9H2,1H3,(H2,18,20,25)
• InChIKey: YXBPONXVBQSYIS-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?

The IUPAC name of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea (CID 102559857) is 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea.

What is the SMILES notation for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?

The canonical SMILES for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is Cn1ccc(N2CCCC(NC(=O)NCc3nc(C4CC4)cs3)C2=O)n1.

What is the InChIKey of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?

The InChIKey is YXBPONXVBQSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-22-8-6-14(21-22)23-7-2-3-12(16(23)24)20-17(25)18-9-15-19-13(10-26-15)11-4-5-11/h6,8,10-12H,2-5,7,9H2,1H3,(H2,18,20,25).

What are the key properties of 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea?

1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea has a molecular weight of 374.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 102559857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).