[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea

C15H13N3OS — CID 165411735

IUPAC[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H13N3OS/c1-9(17-18-15(16)20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H3,16,18,20)/b17-9-
InChIKeyUAALDNUQFOENTN-MFOYZWKCSA-N
MW283.36 g/mol
LogP3.14
Rot. Bonds2

About [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea

[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea (PubChem CID 165411735) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
PubChem CID165411735
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H13N3OS/c1-9(17-18-15(16)20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H3,16,18,20)/b17-9-
InChIKeyUAALDNUQFOENTN-MFOYZWKCSA-N
XLogP3.14
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-methyl-1-[(Z)-1-[8-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzofuran-2-yl]ethylideneamino]guanidine
CID 92529079
(1-phenylethylideneamino)thiourea
CID 912962
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
2-prop-1-en-2-yldibenzofuran
CID 142504770
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
methyl dibenzofuran-2-carboxylate
CID 3702628

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea?
The IUPAC name of [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea (CID 165411735) is [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea?
The InChIKey is UAALDNUQFOENTN-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9(17-18-15(16)20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H3,16,18,20)/b17-9-.
What are the key properties of [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea?
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea has a molecular weight of 283.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea is sourced from PubChem (CID 165411735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).