1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

C15H20N6O2S — CID 99812558

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

1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 99812558) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 99812558
• Molecular Formula: C15H20N6O2S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.14
• IUPAC Name: 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
• SMILES: C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1nccs1
• InChI: InChI=1S/C15H20N6O2S/c1-10(13-16-6-9-24-13)17-15(23)18-11-4-3-7-21(14(11)22)12-5-8-20(2)19-12/h5-6,8-11H,3-4,7H2,1-2H3,(H2,17,18,23)/t10-,11-/m0/s1
• InChIKey: ZATMIDGRKYZOEX-QWRGUYRKSA-N
• XLogP: 1.43
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 99812558) is 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.

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

The canonical SMILES for 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1nccs1.

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

The InChIKey is ZATMIDGRKYZOEX-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10(13-16-6-9-24-13)17-15(23)18-11-4-3-7-21(14(11)22)12-5-8-20(2)19-12/h5-6,8-11H,3-4,7H2,1-2H3,(H2,17,18,23)/t10-,11-/m0/s1.

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

1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 348.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 99812558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).