1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea

C15H20FN3OS — CID 135612403

IUPAC1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1cc(F)ccc1O
InChIInChI=1S/C15H20FN3OS/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h7-9,12,20H,2-6H2,1H3,(H2,17,19,21)/b18-10+
InChIKeyIUTSTFRZNGPTJA-VCHYOVAHSA-N
MW309.41 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea

1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea (PubChem CID 135612403) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
PubChem CID135612403
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1cc(F)ccc1O
InChIInChI=1S/C15H20FN3OS/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h7-9,12,20H,2-6H2,1H3,(H2,17,19,21)/b18-10+
InChIKeyIUTSTFRZNGPTJA-VCHYOVAHSA-N
XLogP3.05
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
CID 135731260
1-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 135816185
1-tert-butyl-3-[1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 2798236
1-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-(3-methylbutyl)thiourea
CID 135846510
1-[1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]-3-cyclohexylthiourea
CID 5062296
1-cyclohexyl-3-[1-[6-[N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 162344959
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
1-cyclohexyl-3-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]thiourea
CID 17337965
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
1-cyclohexyl-3-[[5-(3,5-difluorophenyl)-2-hydroxybenzoyl]amino]thiourea
CID 15955994
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea (CID 135612403) is 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea is C/C(=N\NC(=S)NC1CCCCC1)c1cc(F)ccc1O.
What is the InChIKey of 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is IUTSTFRZNGPTJA-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-10(13-9-11(16)7-8-14(13)20)18-19-15(21)17-12-5-3-2-4-6-12/h7-9,12,20H,2-6H2,1H3,(H2,17,19,21)/b18-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea?
1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 309.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135612403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).