1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

C11H13N5OS — CID 107648988

IUPAC1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)Nc2ccc(N)cc2)s1
InChIInChI=1S/C11H13N5OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-5-3-7(12)4-6-8/h3-6H,2,12H2,1H3,(H2,13,14,16,17)
InChIKeyFXIVNPUOXXMPJT-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 107648988) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID107648988
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCc1nnc(NC(=O)Nc2ccc(N)cc2)s1
InChIInChI=1S/C11H13N5OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-5-3-7(12)4-6-8/h3-6H,2,12H2,1H3,(H2,13,14,16,17)
InChIKeyFXIVNPUOXXMPJT-UHFFFAOYSA-N
XLogP2.33
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-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-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CID 107648988) is 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is CCc1nnc(NC(=O)Nc2ccc(N)cc2)s1.
What is the InChIKey of 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is FXIVNPUOXXMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-2-9-15-16-11(18-9)14-10(17)13-8-5-3-7(12)4-6-8/h3-6H,2,12H2,1H3,(H2,13,14,16,17).
What are the key properties of 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 263.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 107648988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).