1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C11H15N5OS — CID 71893485

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H15N5OS/c1-6-10(7(2)16-15-6)14-11(17)12-4-9-5-18-8(3)13-9/h5H,4H2,1-3H3,(H,15,16)(H2,12,14,17)
InChIKeyZZHFXEFHJNPADB-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.11
Rot. Bonds3

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 71893485) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID71893485
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H15N5OS/c1-6-10(7(2)16-15-6)14-11(17)12-4-9-5-18-8(3)13-9/h5H,4H2,1-3H3,(H,15,16)(H2,12,14,17)
InChIKeyZZHFXEFHJNPADB-UHFFFAOYSA-N
XLogP2.11
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-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-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 71893485) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)Nc2c(C)n[nH]c2C)cs1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is ZZHFXEFHJNPADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6-10(7(2)16-15-6)14-11(17)12-4-9-5-18-8(3)13-9/h5H,4H2,1-3H3,(H,15,16)(H2,12,14,17).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 265.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 71893485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).