1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea

C11H15N3OS — CID 4317161

IUPAC1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)NN=C(C)c1ccccc1OC
InChIInChI=1S/C11H15N3OS/c1-8(13-14-11(16)12-2)9-6-4-5-7-10(9)15-3/h4-7H,1-3H3,(H2,12,14,16)
InChIKeyFHXWGZKWPJAKIL-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.51
Rot. Bonds3

About 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea

1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea (PubChem CID 4317161) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
PubChem CID4317161
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)NN=C(C)c1ccccc1OC
InChIInChI=1S/C11H15N3OS/c1-8(13-14-11(16)12-2)9-6-4-5-7-10(9)15-3/h4-7H,1-3H3,(H2,12,14,16)
InChIKeyFHXWGZKWPJAKIL-UHFFFAOYSA-N
XLogP1.51
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.51
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-(3,4-dimethoxyphenyl)-3-[(Z)-1-(2-methoxyphenyl)ethylideneamino]thiourea
CID 9216367
1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
CID 9071843
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N'-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351436
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
1-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005303
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
1-benzyl-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
CID 4066207
1-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135983097

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea (CID 4317161) is 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea is CNC(=S)NN=C(C)c1ccccc1OC.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea?
The InChIKey is FHXWGZKWPJAKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(13-14-11(16)12-2)9-6-4-5-7-10(9)15-3/h4-7H,1-3H3,(H2,12,14,16).
What are the key properties of 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea?
1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea has a molecular weight of 237.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea is sourced from PubChem (CID 4317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).