1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

C15H21N3OS — CID 135520036

IUPAC1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3OS/c1-11(12-7-9-14(19)10-8-12)17-18-15(20)16-13-5-3-2-4-6-13/h7-10,13,19H,2-6H2,1H3,(H2,16,18,20)/b17-11+
InChIKeyHPRZNWMFHCKVQA-GZTJUZNOSA-N
MW291.42 g/mol
LogP2.91
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea

1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (PubChem CID 135520036) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
PubChem CID135520036
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3OS/c1-11(12-7-9-14(19)10-8-12)17-18-15(20)16-13-5-3-2-4-6-13/h7-10,13,19H,2-6H2,1H3,(H2,16,18,20)/b17-11+
InChIKeyHPRZNWMFHCKVQA-GZTJUZNOSA-N
XLogP2.91
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N1-Phenethyl-2-(2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135472960
N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-1-hydrazinecarbothioamide
CID 135488769
N1-(3-methoxypropyl)-2-(4-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520591
2-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 135676207
N1-neopentyl-2-[1-(3,5-difluoro-2-hydroxyphenyl)ethylidene]hydrazine-1-carbothioamide
CID 135445538
N1-bicyclo[2.2.1]hept-2-yl-2-(4-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520594
3-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 9729029
4-(4-Cyclohexylthiosemicarbazono)methyl-phenol
CID 135562887
Hydrazinecarbothioamide, N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]-
CID 2803708
1-[1-(4-Methoxyphenyl)ethylideneamino]-3-phenethyl-thiourea
CID 6247270
1-(2-methoxyethyl)-3-[[(1E)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]thiourea
CID 135521507
4'-Hydroxyacetophenone, thiosemicarbazone
CID 135523673

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea (CID 135520036) is 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea is C/C(=N\NC(=S)NC1CCCCC1)c1ccc(O)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
The InChIKey is HPRZNWMFHCKVQA-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(12-7-9-14(19)10-8-12)17-18-15(20)16-13-5-3-2-4-6-13/h7-10,13,19H,2-6H2,1H3,(H2,16,18,20)/b17-11+.
What are the key properties of 1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea?
1-cyclohexyl-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea has a molecular weight of 291.42 g/mol, XLogP of 2.91, 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-(4-hydroxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135520036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).