1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea

C14H19N3OS — CID 9410666

IUPAC1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C14H19N3OS/c1-18-9-8-15-14(19)17-16-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3,(H2,15,17,19)/b16-13-
InChIKeyONMDQDFZKIPTSL-SSZFMOIBSA-N
MW277.39 g/mol
LogP1.64
Rot. Bonds4

About 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea

1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea (PubChem CID 9410666) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea
PubChem CID9410666
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)N/N=C1/CCc2ccccc2C1
InChIInChI=1S/C14H19N3OS/c1-18-9-8-15-14(19)17-16-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3,(H2,15,17,19)/b16-13-
InChIKeyONMDQDFZKIPTSL-SSZFMOIBSA-N
XLogP1.64
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethyl)-3-[(4-methylcyclohexylidene)amino]thiourea
CID 7934500
1-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(4-fluorophenyl)thiourea
CID 9410649
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-(2-methoxyethyl)-1,3-dihydroisoindole-2-carbothioamide
CID 115616217
1-(2-methoxyethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 6038171
1-(2-methoxyethyl)-3-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]thiourea
CID 7689651
1-(1,3-dihydroinden-2-ylideneamino)-3-[(4-fluorophenyl)methyl]thiourea
CID 8870866
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-ethylthiourea
CID 6284692
1-[(E)-anthracen-9-ylmethylideneamino]-3-(2-methoxyethyl)thiourea
CID 6906755
1-(3-methoxypropyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)thiourea
CID 115570802
1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 6383625
1-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 6247269

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea (CID 9410666) is 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea is COCCNC(=S)N/N=C1/CCc2ccccc2C1.
What is the InChIKey of 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea?
The InChIKey is ONMDQDFZKIPTSL-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-9-8-15-14(19)17-16-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3,(H2,15,17,19)/b16-13-.
What are the key properties of 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea?
1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea has a molecular weight of 277.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 9410666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).