1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C11H12N4O2S — CID 47433338

IUPAC1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(NCCO)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H12N4O2S/c16-7-6-12-10(17)14-11-13-9(15-18-11)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,13,14,15,17)
InChIKeySPAXDHNOQUQUJV-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.32
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 47433338) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID47433338
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESO=C(NCCO)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H12N4O2S/c16-7-6-12-10(17)14-11-13-9(15-18-11)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,13,14,15,17)
InChIKeySPAXDHNOQUQUJV-UHFFFAOYSA-N
XLogP1.32
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-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-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 47433338) is 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is O=C(NCCO)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is SPAXDHNOQUQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-7-6-12-10(17)14-11-13-9(15-18-11)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,13,14,15,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 264.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 47433338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).