1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea

C19H24N4OS — CID 46372813

IUPAC1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
SMILESCCCN(C)c1ccc(/C=N/NC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H24N4OS/c1-4-13-23(2)16-11-9-15(10-12-16)14-20-22-19(25)21-17-7-5-6-8-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+
InChIKeyWEDPWMDJPNNPBM-XSFVSMFZSA-N
MW356.50 g/mol
LogP3.86
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea

1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea (PubChem CID 46372813) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
PubChem CID46372813
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
SMILESCCCN(C)c1ccc(/C=N/NC(=S)Nc2ccccc2OC)cc1
InChIInChI=1S/C19H24N4OS/c1-4-13-23(2)16-11-9-15(10-12-16)14-20-22-19(25)21-17-7-5-6-8-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+
InChIKeyWEDPWMDJPNNPBM-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-(4-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea
CID 46372581
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3927035
1-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]-3-(2,4,6-trimethylphenyl)thiourea
CID 6261679
1-(2-methoxyphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 2404947
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
1-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7934474
1-(2-methoxyphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
CID 57398965
1-(2-methoxyphenyl)-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 6906457
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1-[(2,6-difluorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3942663
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
1-(3-chloro-2-methylphenyl)-3-[(E)-[4-[ethyl(propyl)amino]phenyl]methylideneamino]thiourea
CID 92879097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea (CID 46372813) is 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea is CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
The InChIKey is WEDPWMDJPNNPBM-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-13-23(2)16-11-9-15(10-12-16)14-20-22-19(25)21-17-7-5-6-8-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H2,21,22,25)/b20-14+.
What are the key properties of 1-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea?
1-(2-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-(2-methoxyphenyl)-3-[(E)-[4-[methyl(propyl)amino]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 46372813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).