1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea

C16H23N3S — CID 42991509

IUPAC1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
SMILESCCc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3S/c1-2-13-8-10-14(11-9-13)12-17-19-16(20)18-15-6-4-3-5-7-15/h8-12,15H,2-7H2,1H3,(H2,18,19,20)/b17-12+
InChIKeyWUKBWMUMJMXNPL-SFQUDFHCSA-N
MW289.45 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea

1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea (PubChem CID 42991509) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
PubChem CID42991509
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
SMILESCCc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3S/c1-2-13-8-10-14(11-9-13)12-17-19-16(20)18-15-6-4-3-5-7-15/h8-12,15H,2-7H2,1H3,(H2,18,19,20)/b17-12+
InChIKeyWUKBWMUMJMXNPL-SFQUDFHCSA-N
XLogP3.38
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.38
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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Related Compounds

1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
CID 5149342
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
1-cyclohexyl-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]thiourea
CID 4216944
1-cyclohexyl-3-[(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 717820
1-cyclohexyl-3-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]thiourea
CID 5397037
1-cyclohexyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 135731239
1-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 45055337
1-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-cyclohexylthiourea
CID 92844135
1-cyclohexyl-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 7933914
1-cyclohexyl-3-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 112538633
1-cyclohexyl-3-[(Z)-(3-propoxyphenyl)methylideneamino]thiourea
CID 112538710
1-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-cyclohexylthiourea
CID 112538617

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea (CID 42991509) is 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea is CCc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea?
The InChIKey is WUKBWMUMJMXNPL-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-13-8-10-14(11-9-13)12-17-19-16(20)18-15-6-4-3-5-7-15/h8-12,15H,2-7H2,1H3,(H2,18,19,20)/b17-12+.
What are the key properties of 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea?
1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea has a molecular weight of 289.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 42991509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).