3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea

C12H14N4OS — CID 79153497

IUPAC3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C12H14N4OS/c1-16(2)12(17)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyHEQPSJOHEITSIB-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.49
Rot. Bonds2

About 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea

3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea (PubChem CID 79153497) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
PubChem CID79153497
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C12H14N4OS/c1-16(2)12(17)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17)
InChIKeyHEQPSJOHEITSIB-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
CID 62698343
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
CID 114824222
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
CID 107970959
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
2-(4-aminophenyl)-2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110451855
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
2-(4-aminophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19630104

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea (CID 79153497) is 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea is CN(C)C(=O)Nc1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea?
The InChIKey is HEQPSJOHEITSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-16(2)12(17)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,14,15,17).
What are the key properties of 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea?
3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea has a molecular weight of 262.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea is sourced from PubChem (CID 79153497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).