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

C15H20N6O2S — CID 99812558

IUPAC1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1nccs1
InChIInChI=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
InChIKeyZATMIDGRKYZOEX-QWRGUYRKSA-N
MW348.43 g/mol
LogP1.43
Rot. Bonds4

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 Name1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID99812558
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1nccs1
InChIInChI=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
InChIKeyZATMIDGRKYZOEX-QWRGUYRKSA-N
XLogP1.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).