1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

C14H19N3OS — CID 135676207

IUPAC1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1/C=N/NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+
InChIKeyQEQOERHFAIIFBC-XNTDXEJSSA-N
MW277.39 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135676207) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135676207
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESOc1ccccc1/C=N/NC(=S)NC1CCCCC1
InChIInChI=1S/C14H19N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+
InChIKeyQEQOERHFAIIFBC-XNTDXEJSSA-N
XLogP2.52
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.52
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

Salicylaldehyde Thiosemicarbazone
CID 135423926
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
N1-neopentyl-2-[1-(3,5-difluoro-2-hydroxyphenyl)ethylidene]hydrazine-1-carbothioamide
CID 135445538
N1-bicyclo[2.2.1]hept-2-yl-2-(2-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520593
N1-bicyclo[2.2.1]hept-2-yl-2-(4-hydroxybenzylidene)hydrazine-1-carbothioamide
CID 135520594
2-[(2-hydroxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
CID 135452581
Bissalicylidene thiocarbohydrazide
CID 3446799
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (CID 135676207) is 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is Oc1ccccc1/C=N/NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is QEQOERHFAIIFBC-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+.
What are the key properties of 1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 277.39 g/mol, XLogP of 2.52, 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)-(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135676207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).