1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea

C20H26N4OS — CID 135745573

IUPAC1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(O)c1
InChIInChI=1S/C20H26N4OS/c1-5-24(6-2)17-11-10-16(19(25)12-17)13-21-23-20(26)22-18-9-7-8-14(3)15(18)4/h7-13,25H,5-6H2,1-4H3,(H2,22,23,26)/b21-13+
InChIKeyDDAJEHCZGOCOHA-FYJGNVAPSA-N
MW370.52 g/mol
LogP4.18
Rot. Bonds6

About 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea

1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea (PubChem CID 135745573) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
PubChem CID135745573
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(O)c1
InChIInChI=1S/C20H26N4OS/c1-5-24(6-2)17-11-10-16(19(25)12-17)13-21-23-20(26)22-18-9-7-8-14(3)15(18)4/h7-13,25H,5-6H2,1-4H3,(H2,22,23,26)/b21-13+
InChIKeyDDAJEHCZGOCOHA-FYJGNVAPSA-N
XLogP4.18
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450
2-(3-chloro-2-methylanilino)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560101
1-(2,3-dimethylphenyl)-3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 2382768
1-[(2-bromophenyl)methylideneamino]-3-(2,3-dimethylphenyl)thiourea
CID 5038746
N-(2-chlorophenyl)-N'-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]butanediamide
CID 5241480
1-(2,3-dimethylphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6902328
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
5-(diethylamino)-2-[[(4-methylphenyl)hydrazinylidene]methyl]phenol
CID 4646676
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
1-(2,3-dimethylphenyl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea
CID 23765164
2-(2-chloroanilino)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136896528

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea?
The IUPAC name of 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea (CID 135745573) is 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea?
The canonical SMILES for 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea is CCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2C)c(O)c1.
What is the InChIKey of 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea?
The InChIKey is DDAJEHCZGOCOHA-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-5-24(6-2)17-11-10-16(19(25)12-17)13-21-23-20(26)22-18-9-7-8-14(3)15(18)4/h7-13,25H,5-6H2,1-4H3,(H2,22,23,26)/b21-13+.
What are the key properties of 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea?
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea has a molecular weight of 370.52 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(2,3-dimethylphenyl)thiourea is sourced from PubChem (CID 135745573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).