3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea

C19H24N4O2S2 — CID 2370211

IUPAC3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea
SMILESCCOc1ccc(NC(=S)NN(C)C(=S)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H24N4O2S2/c1-4-24-16-10-6-14(7-11-16)20-18(26)22-23(3)19(27)21-15-8-12-17(13-9-15)25-5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H2,20,22,26)
InChIKeyFULKVJOQCNRHDQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.01
Rot. Bonds6

About 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea

3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea (PubChem CID 2370211) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea
PubChem CID2370211
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea
SMILESCCOc1ccc(NC(=S)NN(C)C(=S)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C19H24N4O2S2/c1-4-24-16-10-6-14(7-11-16)20-18(26)22-23(3)19(27)21-15-8-12-17(13-9-15)25-5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H2,20,22,26)
InChIKeyFULKVJOQCNRHDQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea 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

1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
3-[4-(difluoromethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-1-methylthiourea
CID 2368158
CID 87125510
CID 87125510
3-(4-ethoxyphenyl)-1-methyl-1-propan-2-ylthiourea
CID 8627705
barium(2+);1,3-bis(4-ethoxyphenyl)thiourea;ethanol;hydride
CID 173291202
3-(4-ethoxyphenyl)-1,1-bis(2-hydroxyethyl)thiourea
CID 23855801
1-benzyl-3-(4-ethoxyphenyl)-1-methylthiourea
CID 4666510
1-[(4-ethoxyphenyl)methyl]-3-(4-ethylphenyl)-1-methylthiourea
CID 8680251
1-(4-cyanophenyl)-3-(4-ethoxyphenyl)thiourea
CID 23904984
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea (CID 2370211) is 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea is CCOc1ccc(NC(=S)NN(C)C(=S)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea?
The InChIKey is FULKVJOQCNRHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c1-4-24-16-10-6-14(7-11-16)20-18(26)22-23(3)19(27)21-15-8-12-17(13-9-15)25-5-2/h6-13H,4-5H2,1-3H3,(H,21,27)(H2,20,22,26).
What are the key properties of 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea?
3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea has a molecular weight of 404.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[(4-ethoxyphenyl)carbamothioylamino]-1-methylthiourea is sourced from PubChem (CID 2370211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).