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

C17H19N3O2S — CID 8001075

IUPAC1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
SMILESCOc1ccc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-4-5-12(2)15(10-11)18-17(23)20-19-16(21)13-6-8-14(22-3)9-7-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,23)
InChIKeyQILDICDPQGHHFI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.94
Rot. Bonds3

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

1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea (PubChem CID 8001075) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
PubChem CID8001075
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
SMILESCOc1ccc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C17H19N3O2S/c1-11-4-5-12(2)15(10-11)18-17(23)20-19-16(21)13-6-8-14(22-3)9-7-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,23)
InChIKeyQILDICDPQGHHFI-UHFFFAOYSA-N
XLogP2.94
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.94
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-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)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

N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
1-(2,5-dimethylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 1494458
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
N-[(2,5-dimethylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4952984
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 1338111
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
1-[(2-chlorobenzoyl)amino]-3-(5-methoxy-2-methylphenyl)thiourea
CID 139033809
1-(2,5-dimethylphenyl)-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]thiourea
CID 843881
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139114

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea (CID 8001075) is 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea is COc1ccc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
The InChIKey is QILDICDPQGHHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-4-5-12(2)15(10-11)18-17(23)20-19-16(21)13-6-8-14(22-3)9-7-13/h4-10H,1-3H3,(H,19,21)(H2,18,20,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea?
1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea has a molecular weight of 329.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea is sourced from PubChem (CID 8001075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).