1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea

C15H15N5O2S — CID 167923716

IUPAC1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
SMILESN#Cc1ccc(OCCNC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H15N5O2S/c16-9-10-1-5-12(6-2-10)22-8-7-17-14(21)18-15-20-19-13(23-15)11-3-4-11/h1-2,5-6,11H,3-4,7-8H2,(H2,17,18,20,21)
InChIKeyKMSNZZSRXZMIEH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.49
Rot. Bonds6

About 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea

1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 167923716) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID167923716
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea
SMILESN#Cc1ccc(OCCNC(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H15N5O2S/c16-9-10-1-5-12(6-2-10)22-8-7-17-14(21)18-15-20-19-13(23-15)11-3-4-11/h1-2,5-6,11H,3-4,7-8H2,(H2,17,18,20,21)
InChIKeyKMSNZZSRXZMIEH-UHFFFAOYSA-N
XLogP2.49
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-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

Related Compounds

2-(2-cyanophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669942
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 708618
N-[2-(4-ethylphenoxy)ethyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methylethanediamide
CID 50976969
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 45907452
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-fluorophenoxy)-1-phenylethyl]urea
CID 45910124
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]urea
CID 51960041
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-fluorophenoxy)-1-phenylethyl]urea
CID 51960042
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 53578836
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[3-(4-methylphenoxy)propyl]urea
CID 53617072
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(4-fluorophenoxy)butyl]urea
CID 55695420
3-Fluoro-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methoxy]benzonitrile
CID 107668148
3-Fluoro-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methoxy]benzonitrile
CID 107668149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea (CID 167923716) is 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea is N#Cc1ccc(OCCNC(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is KMSNZZSRXZMIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c16-9-10-1-5-12(6-2-10)22-8-7-17-14(21)18-15-20-19-13(23-15)11-3-4-11/h1-2,5-6,11H,3-4,7-8H2,(H2,17,18,20,21).
What are the key properties of 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea?
1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 329.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenoxy)ethyl]-3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 167923716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).