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

CID 135423926
CID 135423926
CID 135472960
CID 135472960
CID 135488769
CID 135488769
CID 135520591
CID 135520591
CID 135445538
CID 135445538
CID 135520593
CID 135520593
CID 135520594
CID 135520594
CID 135452581
CID 135452581
CID 3446799
CID 3446799
CID 9729029
CID 9729029
CID 135562887
CID 135562887
CID 2803708
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).