[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea

C10H13N3O2S — CID 162679623

IUPAC[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1cc(/C(C)=N/NC(N)=S)ccc1O
InChIInChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+
InChIKeyLSGUOKMONPPTRD-WUXMJOGZSA-N
MW239.30 g/mol
LogP0.96
Rot. Bonds3

About [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea

[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea (PubChem CID 162679623) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea
PubChem CID162679623
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1cc(/C(C)=N/NC(N)=S)ccc1O
InChIInChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+
InChIKeyLSGUOKMONPPTRD-WUXMJOGZSA-N
XLogP0.96
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

Sri-224
CID 9561005
N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone
CID 135548620
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
Tyrosinase-IN-1
CID 137138791
[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 44315200
(E)-2-(1-(3,4-dimethoxyphenyl)propylidene)hydrazinecarboxamide
CID 9634169
3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone
CID 6870649
Semicarbazide, 1-(4-hydroxy-3-methoxybenzylidene)-3-thio-
CID 135704545
4'-Methoxyacetophenone, thiosemicarbazone
CID 5354108
[(Z)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]thiourea
CID 5411492
1-(1-(4-Methoxyphenyl)propan-2-ylidene)thiosemicarbazide
CID 6393074
[(E)-[(E)-4-(3,4-dimethoxyphenyl)but-3-en-2-ylidene]amino]thiourea
CID 13614621

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea (CID 162679623) is [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea is COc1cc(/C(C)=N/NC(N)=S)ccc1O.
What is the InChIKey of [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea?
The InChIKey is LSGUOKMONPPTRD-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6(12-13-10(11)16)7-3-4-8(14)9(5-7)15-2/h3-5,14H,1-2H3,(H3,11,13,16)/b12-6+.
What are the key properties of [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea?
[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea has a molecular weight of 239.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 162679623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).