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

C15H21N3S — CID 5464929

IUPAC[(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H3,16,18,19)/b17-11+
InChIKeyBVDRAXGQEFWCBU-GZTJUZNOSA-N
MW275.42 g/mol
LogP3.29
Rot. Bonds3

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

[(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea (PubChem CID 5464929) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea
PubChem CID5464929
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name[(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H21N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H3,16,18,19)/b17-11+
InChIKeyBVDRAXGQEFWCBU-GZTJUZNOSA-N
XLogP3.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea (CID 5464929) is [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea?
The InChIKey is BVDRAXGQEFWCBU-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11(17-18-15(16)19)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H3,16,18,19)/b17-11+.
What are the key properties of [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea?
[(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea has a molecular weight of 275.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-cyclohexylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 5464929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).