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

IUPAC1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
SMILESCC(C)c1csc(CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1
InChIInChI=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
InChIKeyMCRUHQGBINDKTK-GFCCVEGCSA-N
MW376.49 g/mol
LogP1.99
Rot. Bonds5

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 Name1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
PubChem CID99698671
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
SMILESCC(C)c1csc(CNC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1
InChIInChI=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
InChIKeyMCRUHQGBINDKTK-GFCCVEGCSA-N
XLogP1.99
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).