1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea

C19H23N3S — CID 4226661

IUPAC1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)NC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3S/c1-14(16-12-11-15-7-5-6-8-17(15)13-16)21-22-19(23)20-18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,20,22,23)
InChIKeyINDCDSXQIHYRQT-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.36
Rot. Bonds3

About 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea

1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea (PubChem CID 4226661) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
PubChem CID4226661
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea
SMILESCC(=NNC(=S)NC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3S/c1-14(16-12-11-15-7-5-6-8-17(15)13-16)21-22-19(23)20-18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,20,22,23)
InChIKeyINDCDSXQIHYRQT-UHFFFAOYSA-N
XLogP4.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', '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

N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
1-cyclohexyl-3-[1-[6-[N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 162344959
1-(4-methylphenyl)-3-(1-naphthalen-2-ylethylideneamino)thiourea
CID 789157
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226
1-cyclohexyl-3-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]thiourea
CID 17337965
1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
CID 135731260
1-cyclohexyl-3-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]thiourea
CID 135612403
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
1-cyclopropyl-3-[(E)-1-(4-methylsulfonylphenyl)ethylideneamino]thiourea
CID 96996119
1-cyclohexyl-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
CID 4225121
1-[1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]-3-cyclohexylthiourea
CID 5062296

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea (CID 4226661) is 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea is CC(=NNC(=S)NC1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea?
The InChIKey is INDCDSXQIHYRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-14(16-12-11-15-7-5-6-8-17(15)13-16)21-22-19(23)20-18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,20,22,23).
What are the key properties of 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea?
1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea has a molecular weight of 325.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-naphthalen-2-ylethylideneamino)thiourea is sourced from PubChem (CID 4226661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).