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

C17H24N6O2S — CID 99698671

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

1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 99698671) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 99698671
• Molecular Formula: C17H24N6O2S
• Molecular Weight: 376.49 g/mol
• Exact Mass: 376.17
• IUPAC Name: 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
• SMILES: CC(C)c1csc(CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1
• InChI: InChI=1S/C17H24N6O2S/c1-11(2)13-10-26-15(19-13)9-18-17(25)20-12-5-4-7-23(16(12)24)14-6-8-22(3)21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,18,20,25)/t12-/m1/s1
• InChIKey: MCRUHQGBINDKTK-GFCCVEGCSA-N
• XLogP: 1.99
• 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	376.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea (CID 99698671) is 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea.

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

The canonical SMILES for 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea is CC(C)c1csc(CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1.

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

The InChIKey is MCRUHQGBINDKTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-11(2)13-10-26-15(19-13)9-18-17(25)20-12-5-4-7-23(16(12)24)14-6-8-22(3)21-14/h6,8,10-12H,4-5,7,9H2,1-3H3,(H2,18,20,25)/t12-/m1/s1.

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

1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 376.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 99698671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).