[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea

C9H10FN3S — CID 5397680

IUPAC[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(F)cc1
InChIInChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+
InChIKeyJBOMIBNEKCISGH-WUXMJOGZSA-N
MW211.27 g/mol
LogP1.38
Rot. Bonds2

About [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea

[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea (PubChem CID 5397680) has the molecular formula C9H10FN3S and a molecular weight of 211.27 g/mol. Its IUPAC name is [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
PubChem CID5397680
Molecular FormulaC9H10FN3S
Molecular Weight211.27 g/mol
Exact Mass211.06
IUPAC Name[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(F)cc1
InChIInChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+
InChIKeyJBOMIBNEKCISGH-WUXMJOGZSA-N
XLogP1.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
[1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 77059894
[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 139080292
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea (CID 5397680) is [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccc(F)cc1.
What is the InChIKey of [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea?
The InChIKey is JBOMIBNEKCISGH-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6+.
What are the key properties of [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea?
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea has a molecular weight of 211.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-fluorophenyl)ethylideneamino]thiourea is sourced from PubChem (CID 5397680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).