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

C13H14N4OS — CID 62698343

IUPAC1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
SMILESNc1ccc(-c2csc(NC(=O)NC3CC3)n2)cc1
InChIInChI=1S/C13H14N4OS/c14-9-3-1-8(2-4-9)11-7-19-13(16-11)17-12(18)15-10-5-6-10/h1-4,7,10H,5-6,14H2,(H2,15,16,17,18)
InChIKeyONFCAKUZUMIWKF-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.68
Rot. Bonds3

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

1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea (PubChem CID 62698343) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
PubChem CID62698343
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea
SMILESNc1ccc(-c2csc(NC(=O)NC3CC3)n2)cc1
InChIInChI=1S/C13H14N4OS/c14-9-3-1-8(2-4-9)11-7-19-13(16-11)17-12(18)15-10-5-6-10/h1-4,7,10H,5-6,14H2,(H2,15,16,17,18)
InChIKeyONFCAKUZUMIWKF-UHFFFAOYSA-N
XLogP2.68
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

3-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153497
4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114804526
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
CID 114824222
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-cyclohexyl-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 4979616
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
trans-(1R,2R)-2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 87484684
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949174
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea (CID 62698343) is 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea is Nc1ccc(-c2csc(NC(=O)NC3CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea?
The InChIKey is ONFCAKUZUMIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-9-3-1-8(2-4-9)11-7-19-13(16-11)17-12(18)15-10-5-6-10/h1-4,7,10H,5-6,14H2,(H2,15,16,17,18).
What are the key properties of 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea?
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea has a molecular weight of 274.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3-cyclopropylurea is sourced from PubChem (CID 62698343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).