1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea

C25H32N6O2S — CID 118200406

IUPAC1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ncc(CCN3CCCCC3)s2)cc1
InChIInChI=1S/C25H32N6O2S/c1-18-6-8-19(9-7-18)31-22(14-21(29-31)25(2)16-33-17-25)27-23(32)28-24-26-15-20(34-24)10-13-30-11-4-3-5-12-30/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3,(H2,26,27,28,32)
InChIKeyVKJWCXUBPJMVJI-UHFFFAOYSA-N
MW480.64 g/mol
LogP4.60
Rot. Bonds7

About 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea

1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea (PubChem CID 118200406) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
PubChem CID118200406
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ncc(CCN3CCCCC3)s2)cc1
InChIInChI=1S/C25H32N6O2S/c1-18-6-8-19(9-7-18)31-22(14-21(29-31)25(2)16-33-17-25)27-23(32)28-24-26-15-20(34-24)10-13-30-11-4-3-5-12-30/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3,(H2,26,27,28,32)
InChIKeyVKJWCXUBPJMVJI-UHFFFAOYSA-N
XLogP4.60
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]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-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea (CID 118200406) is 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea is Cc1ccc(-n2nc(C3(C)COC3)cc2NC(=O)Nc2ncc(CCN3CCCCC3)s2)cc1.
What is the InChIKey of 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is VKJWCXUBPJMVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-18-6-8-19(9-7-18)31-22(14-21(29-31)25(2)16-33-17-25)27-23(32)28-24-26-15-20(34-24)10-13-30-11-4-3-5-12-30/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3,(H2,26,27,28,32).
What are the key properties of 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea?
1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 480.64 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 118200406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).