1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea

C19H19N3O3S — CID 9256403

IUPAC1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)N/N=C(/C)c2cc3cccc(OC)c3o2)c1
InChIInChI=1S/C19H19N3O3S/c1-12(17-10-13-6-4-9-16(24-3)18(13)25-17)21-22-19(26)20-14-7-5-8-15(11-14)23-2/h4-11H,1-3H3,(H2,20,22,26)/b21-12-
InChIKeyVNEAVLWAQCIIIU-MTJSOVHGSA-N
MW369.45 g/mol
LogP4.16
Rot. Bonds5

About 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea

1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea (PubChem CID 9256403) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
PubChem CID9256403
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)N/N=C(/C)c2cc3cccc(OC)c3o2)c1
InChIInChI=1S/C19H19N3O3S/c1-12(17-10-13-6-4-9-16(24-3)18(13)25-17)21-22-19(26)20-14-7-5-8-15(11-14)23-2/h4-11H,1-3H3,(H2,20,22,26)/b21-12-
InChIKeyVNEAVLWAQCIIIU-MTJSOVHGSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-3-[(E)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea
CID 75362093
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175722
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135983097
1-(3-methoxyphenyl)-3-[(E)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 22829855
1-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966014
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
1-[(E)-1-(3-bromophenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 18283865
1-[(Z)-1-(7-ethoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175726
1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
CID 162740797
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(3,4-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethylideneamino]thiourea
CID 3327700
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea (CID 9256403) is 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)N/N=C(/C)c2cc3cccc(OC)c3o2)c1.
What is the InChIKey of 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
The InChIKey is VNEAVLWAQCIIIU-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12(17-10-13-6-4-9-16(24-3)18(13)25-17)21-22-19(26)20-14-7-5-8-15(11-14)23-2/h4-11H,1-3H3,(H2,20,22,26)/b21-12-.
What are the key properties of 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea?
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea has a molecular weight of 369.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 9256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).