1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

C19H21N3OS — CID 4119569

IUPAC1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc(NC(=S)NNC(=O)C2CC2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-3-7-14(8-4-12)16-11-17(16)18(23)21-22-19(24)20-15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyLLWBZGOISSXWHX-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.42
Rot. Bonds3

About 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (PubChem CID 4119569) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
PubChem CID4119569
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCc1ccc(NC(=S)NNC(=O)C2CC2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3OS/c1-12-3-7-14(8-4-12)16-11-17(16)18(23)21-22-19(24)20-15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyLLWBZGOISSXWHX-UHFFFAOYSA-N
XLogP3.42
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]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

1-Benzoyl-4-phenyl-3-thiosemicarbazide
CID 735919
N-phenyl-2-(3-phenylpropanoyl)hydrazinecarboxamide
CID 730631
Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate
CID 2003556
1-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-3-(4-fluorophenyl)thiourea
CID 916016
1-(Cyclopropanecarbonylamino)-3-(4-propan-2-ylphenyl)thiourea
CID 1946611
2-(cyclohexylcarbonyl)-N-phenylhydrazinecarbothioamide
CID 3135493
4-[2-(anilinocarbonothioyl)hydrazino]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140676
1-(4-fluorophenyl)-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 11900269
N-{[(2-ethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818633
N-{[(2,5-dimethylphenyl)amino]carbonylamino}-3-phenylpropanamide
CID 24818638
N-{[N-(3-methylphenyl)carbamoyl]amino}-3-phenylpropanamide
CID 24818639
2-(4-(tert-Butyl)benzoyl)-N-phenylhydrazinecarbothioamide
CID 716888

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The IUPAC name of 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (CID 4119569) is 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is Cc1ccc(NC(=S)NNC(=O)C2CC2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The InChIKey is LLWBZGOISSXWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-3-7-14(8-4-12)16-11-17(16)18(23)21-22-19(24)20-15-9-5-13(2)6-10-15/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea has a molecular weight of 339.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is sourced from PubChem (CID 4119569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).