1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea

C20H26N4OS — CID 6889204

IUPAC1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+
InChIKeyLNWZCAHWHXGGAY-PXLXIMEGSA-N
MW370.52 g/mol
LogP3.54
Rot. Bonds8

About 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea

1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea (PubChem CID 6889204) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
PubChem CID6889204
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
SMILESCCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+
InChIKeyLNWZCAHWHXGGAY-PXLXIMEGSA-N
XLogP3.54
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
CID 764325
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
4-Methoxybenzaldehyde N-phenylthiosemicarbazone
CID 9554711
4-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
CID 779369
4-Nitrobenzaldehyde N-(4-isopropoxybenzyl)thiosemicarbazone
CID 6877350
1-[(E)-(4-nitrophenyl)methylideneamino]-3-[(4-propoxyphenyl)methyl]thiourea
CID 6877349
6-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydro-1,3,5-triazine-2(1H)-thione
CID 2134226
5-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2951772
5-(4-Methoxy-phenyl)-4-phenyl-4h-[1,2,4]triazole-3-thiol
CID 764320
N-(4-butylphenyl)-N'-(4-methoxybenzyl)thiourea
CID 2192693
4-[2-(Anilinocarbonothioyl)carbonohydrazonoyl]phenyl acetate
CID 5349230
1-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]-3-phenylthiourea
CID 5852098

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The IUPAC name of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea (CID 6889204) is 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea.
What is the SMILES notation for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The canonical SMILES for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea is CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
The InChIKey is LNWZCAHWHXGGAY-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-4-24(5-2)18-10-6-17(7-11-18)15-22-23-20(26)21-14-16-8-12-19(25-3)13-9-16/h6-13,15H,4-5,14H2,1-3H3,(H2,21,23,26)/b22-15+.
What are the key properties of 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea?
1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea has a molecular weight of 370.52 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea is sourced from PubChem (CID 6889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).