1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea

C19H25N3OS — CID 23880334

IUPAC1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
SMILESCCN(CCO)c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25N3OS/c1-4-22(9-10-23)18-7-5-16(6-8-18)20-19(24)21-17-12-14(2)11-15(3)13-17/h5-8,11-13,23H,4,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyKDANWBYRETVILC-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.93
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea

1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea (PubChem CID 23880334) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
PubChem CID23880334
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
SMILESCCN(CCO)c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H25N3OS/c1-4-22(9-10-23)18-7-5-16(6-8-18)20-19(24)21-17-12-14(2)11-15(3)13-17/h5-8,11-13,23H,4,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyKDANWBYRETVILC-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-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
CID 23765164
1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 904354
1-(4-bromo-3-methylphenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753254
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
1-[4-(diethylamino)phenyl]-3-ethylthiourea;hydrochloride
CID 117067446
2-[N-ethyl-4-(3-methylbutan-2-ylamino)anilino]ethanol
CID 54866332
1-(1,3-benzodioxol-5-yl)-3-[3-(N-ethyl-4-methylanilino)propyl]thiourea
CID 100738315
1-(3,5-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 17262922
1-[4-(diethylamino)phenyl]-3-propylthiourea
CID 7942260
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea (CID 23880334) is 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea is CCN(CCO)c1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
The InChIKey is KDANWBYRETVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-22(9-10-23)18-7-5-16(6-8-18)20-19(24)21-17-12-14(2)11-15(3)13-17/h5-8,11-13,23H,4,9-10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea?
1-(3,5-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-(3,5-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea is sourced from PubChem (CID 23880334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).