1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea

C20H17N5OS — CID 135666651

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESOc1ccccc1/C=N/NC(=S)N/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17N5OS/c26-18-12-5-4-10-16(18)14-22-24-20(27)25-23-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17/h1-14,26H,(H2,24,25,27)/b22-14+,23-19+
InChIKeyUDYSRMUQAWRHKU-OFMBYABZSA-N
MW375.46 g/mol
LogP3.04
Rot. Bonds5

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea (PubChem CID 135666651) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
PubChem CID135666651
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESOc1ccccc1/C=N/NC(=S)N/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C20H17N5OS/c26-18-12-5-4-10-16(18)14-22-24-20(27)25-23-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17/h1-14,26H,(H2,24,25,27)/b22-14+,23-19+
InChIKeyUDYSRMUQAWRHKU-OFMBYABZSA-N
XLogP3.04
TPSA81.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea (CID 135666651) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea is Oc1ccccc1/C=N/NC(=S)N/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The InChIKey is UDYSRMUQAWRHKU-OFMBYABZSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-18-12-5-4-10-16(18)14-22-24-20(27)25-23-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17/h1-14,26H,(H2,24,25,27)/b22-14+,23-19+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea has a molecular weight of 375.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea is sourced from PubChem (CID 135666651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).