1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea

C19H24N4S — CID 5410280

IUPAC1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
SMILESCCN(CC)c1ccc(/C=N\NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N4S/c1-3-23(4-2)18-12-10-17(11-13-18)15-21-22-19(24)20-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H2,20,22,24)/b21-15-
InChIKeyGEMVZPHXNBBWMU-QNGOZBTKSA-N
MW340.50 g/mol
LogP3.53
Rot. Bonds7

About 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea

1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea (PubChem CID 5410280) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
PubChem CID5410280
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
SMILESCCN(CC)c1ccc(/C=N\NC(=S)NCc2ccccc2)cc1
InChIInChI=1S/C19H24N4S/c1-3-23(4-2)18-12-10-17(11-13-18)15-21-22-19(24)20-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H2,20,22,24)/b21-15-
InChIKeyGEMVZPHXNBBWMU-QNGOZBTKSA-N
XLogP3.53
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-ethylthiourea
CID 7728670
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
1-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 2382134
1-benzyl-3-[(4-ethoxyphenyl)methylideneamino]thiourea
CID 4593913
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
CID 824175
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
1-benzyl-3-(ethylideneamino)thiourea
CID 171138414
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
1-benzyl-3-[[4-(3-methylbutoxy)phenyl]methylideneamino]thiourea
CID 3284974
1-(2-phenylethyl)-3-[(Z)-[4-[(Z)-(2-phenylethylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6146871

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea?
The IUPAC name of 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea (CID 5410280) is 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea.
What is the SMILES notation for 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea?
The canonical SMILES for 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea is CCN(CC)c1ccc(/C=N\NC(=S)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea?
The InChIKey is GEMVZPHXNBBWMU-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H24N4S/c1-3-23(4-2)18-12-10-17(11-13-18)15-21-22-19(24)20-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H2,20,22,24)/b21-15-.
What are the key properties of 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea?
1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea has a molecular weight of 340.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 5410280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).