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

C19H24N4OS — CID 46372581

IUPAC1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
SMILESCCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N4OS/c1-4-13-23(2)17-9-5-15(6-10-17)14-20-22-19(25)21-16-7-11-18(24-3)12-8-16/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+
InChIKeyUXYAOPUGGQVDQQ-XSFVSMFZSA-N
MW356.50 g/mol
LogP3.86
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea (PubChem CID 46372581) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
PubChem CID46372581
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
SMILESCCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N4OS/c1-4-13-23(2)17-9-5-15(6-10-17)14-20-22-19(25)21-16-7-11-18(24-3)12-8-16/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+
InChIKeyUXYAOPUGGQVDQQ-XSFVSMFZSA-N
XLogP3.86
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.86
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

1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
CID 46372813
1-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]-3-(2,4,6-trimethylphenyl)thiourea
CID 6261679
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024
1-(4-cyanophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 138376439
1-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 7934080
1-[(E)-(4-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 6898031
1-butyl-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 3752376
1-(3-methoxyphenyl)-3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea
CID 6024444
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
1-amino-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 2728543
1,3-bis[[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5125504
1-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-3-(4-propan-2-ylphenyl)thiourea
CID 92879088

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea (CID 46372581) is 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea is CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The InChIKey is UXYAOPUGGQVDQQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-13-23(2)17-9-5-15(6-10-17)14-20-22-19(25)21-16-7-11-18(24-3)12-8-16/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+.
What are the key properties of 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea has a molecular weight of 356.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 46372581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).