1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea

C8H10N4O2S — CID 143286476

IUPAC1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H10N4O2S/c9-11-8(15)12-10-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,9H2,(H2,11,12,15)/b10-4+
InChIKeyWGHMTJGWILSNNF-ONNFQVAWSA-N
MW226.26 g/mol
LogP-0.23
Rot. Bonds2

About 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea

1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea (PubChem CID 143286476) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea
PubChem CID143286476
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C8H10N4O2S/c9-11-8(15)12-10-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,9H2,(H2,11,12,15)/b10-4+
InChIKeyWGHMTJGWILSNNF-ONNFQVAWSA-N
XLogP-0.23
TPSA102.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
1-benzyl-3-[(2,4-dihydroxyphenyl)methylideneamino]thiourea
CID 3445356
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 135933853
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 136773530
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3-ethoxypropyl)thiourea
CID 135817715
1-[(2,4-dihydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 2367884
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea (CID 143286476) is 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea is NNC(=S)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea?
The InChIKey is WGHMTJGWILSNNF-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10N4O2S/c9-11-8(15)12-10-4-5-1-2-6(13)3-7(5)14/h1-4,13-14H,9H2,(H2,11,12,15)/b10-4+.
What are the key properties of 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea?
1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea has a molecular weight of 226.26 g/mol, XLogP of -0.23, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 143286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).