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

C20H17N5OS — CID 3037709

IUPAC1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESOc1ccccc1C=NNC(=S)NN=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)
InChIKeyUDYSRMUQAWRHKU-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.04
Rot. Bonds5

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

1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea (PubChem CID 3037709) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
PubChem CID3037709
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
SMILESOc1ccccc1C=NNC(=S)NN=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)
InChIKeyUDYSRMUQAWRHKU-UHFFFAOYSA-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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Related Compounds

1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 6509755
1-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-propylthiourea
CID 10069308
1-(3-chlorophenyl)-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005029
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236
1-cyclohepta-1,3,5-trien-1-yl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 143919676
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-ethylthiourea
CID 54757237
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The IUPAC name of 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea (CID 3037709) is 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea is Oc1ccccc1C=NNC(=S)NN=C(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
The InChIKey is UDYSRMUQAWRHKU-UHFFFAOYSA-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).
What are the key properties of 1-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea?
1-[(2-hydroxyphenyl)methylideneamino]-3-[[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-[(2-hydroxyphenyl)methylideneamino]-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea is sourced from PubChem (CID 3037709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).