1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea

C15H15N5O2S2 — CID 18584300

IUPAC1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCSc1nnc(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C15H15N5O2S2/c21-13(18-14-17-8-10-23-14)16-7-4-9-24-15-20-19-12(22-15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H2,16,17,18,21)
InChIKeyQPXDRUQGOFZSDL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.50
Rot. Bonds7

About 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea

1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 18584300) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID18584300
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCSc1nnc(-c2ccccc2)o1)Nc1nccs1
InChIInChI=1S/C15H15N5O2S2/c21-13(18-14-17-8-10-23-14)16-7-4-9-24-15-20-19-12(22-15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H2,16,17,18,21)
InChIKeyQPXDRUQGOFZSDL-UHFFFAOYSA-N
XLogP3.50
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-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-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea (CID 18584300) is 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCCCSc1nnc(-c2ccccc2)o1)Nc1nccs1.
What is the InChIKey of 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QPXDRUQGOFZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c21-13(18-14-17-8-10-23-14)16-7-4-9-24-15-20-19-12(22-15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2,(H2,16,17,18,21).
What are the key properties of 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea?
1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 361.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 18584300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).