N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea

C15H23N3OS — CID 799997

IUPAC1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC1=CC(=CC(=C1)NC(=S)NCCN2CCOCC2)C
InChIInChI=1S/C15H23N3OS/c1-12-9-13(2)11-14(10-12)17-15(20)16-3-4-18-5-7-19-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,20)
InChIKeyPHUXOAYQALWRDJ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.90
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea

N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea (PubChem CID 799997) has the molecular formula C15H23N3OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
PubChem CID799997
Molecular FormulaC15H23N3OS
Molecular Weight293.40 g/mol
Exact Mass293.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCC1=CC(=CC(=C1)NC(=S)NCCN2CCOCC2)C
InChIInChI=1S/C15H23N3OS/c1-12-9-13(2)11-14(10-12)17-15(20)16-3-4-18-5-7-19-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,20)
InChIKeyPHUXOAYQALWRDJ-UHFFFAOYSA-N
XLogP1.90
TPSA68.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity297

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea 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

N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-(3-methylphenyl)-1-piperidinecarbothioamide
CID 723471
1-(4-Cyanophenyl)-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 718360
5-Ethyl-1-(3-methylphenyl)-1,3,5-triazinane-2-thione
CID 751654
N-(3,4-dimethylphenyl)-N'-(3-morpholinopropyl)thiourea
CID 2725458
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
1-[2-(Morpholin-4-yl)phenyl]-3-(2-phenylethyl)thiourea
CID 972608
1-(2,5-Dimethylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731414
1-(3,5-Dimethylphenyl)-3-pentan-2-ylthiourea
CID 3571853
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
N-(2,4-dimethylphenyl)-4-methylpiperazine-1-carbothioamide
CID 799414

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea?
The IUPAC name of N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea (CID 799997) is 1-(3,5-dimethylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea?
The canonical SMILES for N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea is CC1=CC(=CC(=C1)NC(=S)NCCN2CCOCC2)C.
What is the InChIKey of N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea?
The InChIKey is PHUXOAYQALWRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-9-13(2)11-14(10-12)17-15(20)16-3-4-18-5-7-19-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,20).
What are the key properties of N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea?
N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea has a molecular weight of 293.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea is sourced from PubChem (CID 799997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).