1-(4-butylphenyl)-3-morpholin-4-ylthiourea

C15H23N3OS — CID 2192679

IUPAC1-(4-butylphenyl)-3-morpholin-4-ylthiourea
SMILESCCCCc1ccc(NC(=S)NN2CCOCC2)cc1
InChIInChI=1S/C15H23N3OS/c1-2-3-4-13-5-7-14(8-6-13)16-15(20)17-18-9-11-19-12-10-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
InChIKeySJHLDWBNOZHZKI-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-butylphenyl)-3-morpholin-4-ylthiourea

1-(4-butylphenyl)-3-morpholin-4-ylthiourea (PubChem CID 2192679) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-morpholin-4-ylthiourea
PubChem CID2192679
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-(4-butylphenyl)-3-morpholin-4-ylthiourea
SMILESCCCCc1ccc(NC(=S)NN2CCOCC2)cc1
InChIInChI=1S/C15H23N3OS/c1-2-3-4-13-5-7-14(8-6-13)16-15(20)17-18-9-11-19-12-10-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
InChIKeySJHLDWBNOZHZKI-UHFFFAOYSA-N
XLogP2.56
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-butylphenyl)-3-morpholin-4-ylthiourea 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-(3,4-dimethylphenyl)-N'-(3-morpholinopropyl)thiourea
CID 2725458
N-(4-methylphenyl)-N'-4-morpholinylurea
CID 2980919
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
1-(2-methylprop-2-enyl)-3-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 5946402
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]butanamide
CID 851459
1-(2-Hydroxyethyl)-N-(4-methylphenyl)-hydrazinecarbothioamide
CID 2366366
1-(3-Methylphenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2257807
N-(4-isopropylphenyl)-N'-morpholin-4-ylurea
CID 5085986
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 19654280
N-(4-butylphenyl)-N'-[3-(4-morpholinyl)propyl]thiourea
CID 2192297
1-(3,5-Difluorophenyl)-3-morpholin-4-ylthiourea
CID 2991484
1-(2,6-Dimethylpiperidin-1-yl)-3-(4-isopropylphenyl)thiourea
CID 3943100

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(4-butylphenyl)-3-morpholin-4-ylthiourea (CID 2192679) is 1-(4-butylphenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(4-butylphenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(4-butylphenyl)-3-morpholin-4-ylthiourea is CCCCc1ccc(NC(=S)NN2CCOCC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-morpholin-4-ylthiourea?
The InChIKey is SJHLDWBNOZHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-3-4-13-5-7-14(8-6-13)16-15(20)17-18-9-11-19-12-10-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20).
What are the key properties of 1-(4-butylphenyl)-3-morpholin-4-ylthiourea?
1-(4-butylphenyl)-3-morpholin-4-ylthiourea has a molecular weight of 293.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 2192679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).