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

C16H22N6O2S — CID 99812552

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

1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 99812552) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 99812552
• Molecular Formula: C16H22N6O2S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.15
• IUPAC Name: 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
• SMILES: Cc1csc([C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1
• InChI: InChI=1S/C16H22N6O2S/c1-10-9-25-14(17-10)11(2)18-16(24)19-12-5-4-7-22(15(12)23)13-6-8-21(3)20-13/h6,8-9,11-12H,4-5,7H2,1-3H3,(H2,18,19,24)/t11-,12-/m1/s1
• InChIKey: GWMVHIZZHXJWQE-VXGBXAGGSA-N
• XLogP: 1.74
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	1.74
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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

The IUPAC name of 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 99812552) is 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

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

The canonical SMILES for 1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc([C@@H](C)NC(=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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?

The InChIKey is GWMVHIZZHXJWQE-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-10-9-25-14(17-10)11(2)18-16(24)19-12-5-4-7-22(15(12)23)13-6-8-21(3)20-13/h6,8-9,11-12H,4-5,7H2,1-3H3,(H2,18,19,24)/t11-,12-/m1/s1.

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

1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 362.46 g/mol, XLogP of 1.74, 4 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-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 99812552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).