1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea

C13H13N3OS2 — CID 7966039

IUPAC1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea
SMILESCOc1cccc(NC(=S)N/N=C\c2ccsc2)c1
InChIInChI=1S/C13H13N3OS2/c1-17-12-4-2-3-11(7-12)15-13(18)16-14-8-10-5-6-19-9-10/h2-9H,1H3,(H2,15,16,18)/b14-8-
InChIKeyFCEUWHBYYAYGPP-ZSOIEALJSA-N
MW291.40 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea

1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea (PubChem CID 7966039) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea
PubChem CID7966039
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea
SMILESCOc1cccc(NC(=S)N/N=C\c2ccsc2)c1
InChIInChI=1S/C13H13N3OS2/c1-17-12-4-2-3-11(7-12)15-13(18)16-14-8-10-5-6-19-9-10/h2-9H,1H3,(H2,15,16,18)/b14-8-
InChIKeyFCEUWHBYYAYGPP-ZSOIEALJSA-N
XLogP3.08
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.08
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-[(Z)-(3-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7966012
1-[(Z)-(3-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 7965995
1-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256332
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256691
1-(3-methoxyphenyl)-3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea
CID 6024444
1-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256473
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 136773530
1-[(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 2367884
1-[(E)-(4-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 6898031
1-[[4-(1-adamantyl)phenyl]methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 155923399
1-(3-methoxyphenyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea
CID 9256249

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea (CID 7966039) is 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea is COc1cccc(NC(=S)N/N=C\c2ccsc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea?
The InChIKey is FCEUWHBYYAYGPP-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-17-12-4-2-3-11(7-12)15-13(18)16-14-8-10-5-6-19-9-10/h2-9H,1H3,(H2,15,16,18)/b14-8-.
What are the key properties of 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea?
1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea has a molecular weight of 291.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(Z)-thiophen-3-ylmethylideneamino]thiourea is sourced from PubChem (CID 7966039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).