1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea

C14H18N4OS — CID 718360

IUPAC1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESN#Cc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H18N4OS/c15-11-12-1-3-13(4-2-12)17-14(20)16-5-6-18-7-9-19-10-8-18/h1-4H,5-10H2,(H2,16,17,20)
InChIKeyMAEZIBFCVVAHKE-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.18
Rot. Bonds4

About 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 718360) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID718360
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESN#Cc1ccc(NC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C14H18N4OS/c15-11-12-1-3-13(4-2-12)17-14(20)16-5-6-18-7-9-19-10-8-18/h1-4H,5-10H2,(H2,16,17,20)
InChIKeyMAEZIBFCVVAHKE-UHFFFAOYSA-N
XLogP1.18
TPSA60.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea 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-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 718360) is 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea is N#Cc1ccc(NC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is MAEZIBFCVVAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-11-12-1-3-13(4-2-12)17-14(20)16-5-6-18-7-9-19-10-8-18/h1-4H,5-10H2,(H2,16,17,20).
What are the key properties of 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 290.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 718360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).