1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea

C17H19N3O3S — CID 17382753

IUPAC1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
SMILESCCc1cccc(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O3S/c1-4-12-7-5-6-11(2)16(12)19-17(24)18-14-9-8-13(20(21)22)10-15(14)23-3/h5-10H,4H2,1-3H3,(H2,18,19,24)
InChIKeyWULUOYPHRHRIAR-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea

1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea (PubChem CID 17382753) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
PubChem CID17382753
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
SMILESCCc1cccc(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O3S/c1-4-12-7-5-6-11(2)16(12)19-17(24)18-14-9-8-13(20(21)22)10-15(14)23-3/h5-10H,4H2,1-3H3,(H2,18,19,24)
InChIKeyWULUOYPHRHRIAR-UHFFFAOYSA-N
XLogP4.28
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)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-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667509
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
1-(2-chloro-4-nitrophenyl)-3-(2,6-diethylphenyl)thiourea
CID 23849924
N-[(2-ethylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 62391071
1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108893258
1-(2-methoxy-4-nitrophenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678846
1-(4-fluoro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 168953674
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-(5-fluoro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 168953654
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 127074411
1-(4-bromo-2-fluorophenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 17300978
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea (CID 17382753) is 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea is CCc1cccc(C)c1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
The InChIKey is WULUOYPHRHRIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-4-12-7-5-6-11(2)16(12)19-17(24)18-14-9-8-13(20(21)22)10-15(14)23-3/h5-10H,4H2,1-3H3,(H2,18,19,24).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea?
1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea has a molecular weight of 345.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea is sourced from PubChem (CID 17382753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).