1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea

C16H23N3OS — CID 135731260

IUPAC1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1cc(C)ccc1O
InChIInChI=1S/C16H23N3OS/c1-11-8-9-15(20)14(10-11)12(2)18-19-16(21)17-13-6-4-3-5-7-13/h8-10,13,20H,3-7H2,1-2H3,(H2,17,19,21)/b18-12+
InChIKeySMTLQYZAASQDMB-LDADJPATSA-N
MW305.45 g/mol
LogP3.22
Rot. Bonds3

About 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea

1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea (PubChem CID 135731260) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
PubChem CID135731260
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
SMILESC/C(=N\NC(=S)NC1CCCCC1)c1cc(C)ccc1O
InChIInChI=1S/C16H23N3OS/c1-11-8-9-15(20)14(10-11)12(2)18-19-16(21)17-13-6-4-3-5-7-13/h8-10,13,20H,3-7H2,1-2H3,(H2,17,19,21)/b18-12+
InChIKeySMTLQYZAASQDMB-LDADJPATSA-N
XLogP3.22
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.22
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

1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 135612403
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
CID 137152723
1-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 135733309
1-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 135816185
1-cyclohexyl-3-[1-[6-[N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 162344959
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 4226661
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846
1-[1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]-3-cyclohexylthiourea
CID 5062296
1-cyclooctyl-3-(2,5-dimethylphenyl)thiourea
CID 19650520
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
1-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9409739

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea (CID 135731260) is 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea is C/C(=N\NC(=S)NC1CCCCC1)c1cc(C)ccc1O.
What is the InChIKey of 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea?
The InChIKey is SMTLQYZAASQDMB-LDADJPATSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-8-9-15(20)14(10-11)12(2)18-19-16(21)17-13-6-4-3-5-7-13/h8-10,13,20H,3-7H2,1-2H3,(H2,17,19,21)/b18-12+.
What are the key properties of 1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea?
1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea has a molecular weight of 305.45 g/mol, XLogP of 3.22, 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-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 135731260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).