[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea

C11H14ClN3O2S — CID 19617965

IUPAC[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
SMILESCCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC
InChIInChI=1S/C11H14ClN3O2S/c1-3-17-9-5-7(6-14-15-11(13)18)4-8(12)10(9)16-2/h4-6H,3H2,1-2H3,(H3,13,15,18)/b14-6+
InChIKeyGITDFNMYWPRFHT-MKMNVTDBSA-N
MW287.77 g/mol
LogP1.91
Rot. Bonds5

About [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea

[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea (PubChem CID 19617965) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
PubChem CID19617965
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea
SMILESCCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC
InChIInChI=1S/C11H14ClN3O2S/c1-3-17-9-5-7(6-14-15-11(13)18)4-8(12)10(9)16-2/h4-6H,3H2,1-2H3,(H3,13,15,18)/b14-6+
InChIKeyGITDFNMYWPRFHT-MKMNVTDBSA-N
XLogP1.91
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.91
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'}

Analyze [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19618018
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenyl] acetate
CID 19617998
1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-3-ethylthiourea
CID 3511527
[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 4542145
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
methyl 2-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-methoxyphenoxy]acetate
CID 6150314
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 5398547
N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 110515767
2-amino-N-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512074
[(Z)-(3,4-diethoxyphenyl)methylideneamino]thiourea
CID 5354424
2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea (CID 19617965) is [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea is CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC.
What is the InChIKey of [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea?
The InChIKey is GITDFNMYWPRFHT-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-3-17-9-5-7(6-14-15-11(13)18)4-8(12)10(9)16-2/h4-6H,3H2,1-2H3,(H3,13,15,18)/b14-6+.
What are the key properties of [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea?
[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea has a molecular weight of 287.77 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 19617965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).