1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea

C19H25N3OS — CID 23765164

IUPAC1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
SMILESCCN(CCO)c1ccc(NC(=S)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-22(12-13-23)17-10-8-16(9-11-17)20-19(24)21-18-7-5-6-14(2)15(18)3/h5-11,23H,4,12-13H2,1-3H3,(H2,20,21,24)
InChIKeyHAHPPJJWNBBZBH-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.93
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea

1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea (PubChem CID 23765164) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
PubChem CID23765164
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
SMILESCCN(CCO)c1ccc(NC(=S)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H25N3OS/c1-4-22(12-13-23)17-10-8-16(9-11-17)20-19(24)21-18-7-5-6-14(2)15(18)3/h5-11,23H,4,12-13H2,1-3H3,(H2,20,21,24)
InChIKeyHAHPPJJWNBBZBH-UHFFFAOYSA-N
XLogP3.93
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
CID 23880334
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 135745573
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-[4-(dimethylamino)phenyl]-3-(3-fluoro-2-methylphenyl)thiourea
CID 53488520
1-(3-chloro-2-methylphenyl)-3-[(E)-[4-[ethyl(propyl)amino]phenyl]methylideneamino]thiourea
CID 92879097
1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891
1-[(2S)-butan-2-yl]-3-(2,3-dimethylphenyl)thiourea
CID 8619676
2-[4-(3-amino-2-methylanilino)-N-(2-hydroxyethyl)anilino]ethanol
CID 69135951
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
ethyl 3-[3-(N-ethyl-4-methylanilino)propylcarbamothioylamino]-2-methylbenzoate
CID 100738591
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3-dimethylphenyl)thiourea
CID 19678548
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1295574

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea (CID 23765164) is 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea is CCN(CCO)c1ccc(NC(=S)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The InChIKey is HAHPPJJWNBBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-22(12-13-23)17-10-8-16(9-11-17)20-19(24)21-18-7-5-6-14(2)15(18)3/h5-11,23H,4,12-13H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea has a molecular weight of 343.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea is sourced from PubChem (CID 23765164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).