1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea

C19H23N3O2S — CID 8001030

IUPAC1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
SMILESCc1cc(C)cc(NC(=S)NNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)24-17-7-5-15(6-8-17)18(23)21-22-19(25)20-16-10-13(3)9-14(4)11-16/h5-12H,1-4H3,(H,21,23)(H2,20,22,25)
InChIKeyZHYZZEJSHGXMSH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.72
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea

1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea (PubChem CID 8001030) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
PubChem CID8001030
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
SMILESCc1cc(C)cc(NC(=S)NNC(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)24-17-7-5-15(6-8-17)18(23)21-22-19(25)20-16-10-13(3)9-14(4)11-16/h5-12H,1-4H3,(H,21,23)(H2,20,22,25)
InChIKeyZHYZZEJSHGXMSH-UHFFFAOYSA-N
XLogP3.72
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)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

3-methyl-N-[4-[[(4-propan-2-yloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 4952353
1-propan-2-yl-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 7978085
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
1-(3,5-dimethylphenyl)-3-[2-(4-fluorophenoxy)propanoylamino]thiourea
CID 78591356
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
CID 5119029
N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952382
1-(2-methylprop-2-enyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 8742220
1-(3,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea
CID 2422712
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 7325857
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea (CID 8001030) is 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea is Cc1cc(C)cc(NC(=S)NNC(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea?
The InChIKey is ZHYZZEJSHGXMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)24-17-7-5-15(6-8-17)18(23)21-22-19(25)20-16-10-13(3)9-14(4)11-16/h5-12H,1-4H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea?
1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea has a molecular weight of 357.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-yloxybenzoyl)amino]thiourea is sourced from PubChem (CID 8001030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).