1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea

C16H20N2OS — CID 2382570

IUPAC1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea
SMILESCCN(C(=S)NCCOC)c1cccc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-3-18(16(20)17-11-12-19-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyKYXZILWTVUCZGI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.19
Rot. Bonds5

About 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea

1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea (PubChem CID 2382570) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea
PubChem CID2382570
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea
SMILESCCN(C(=S)NCCOC)c1cccc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-3-18(16(20)17-11-12-19-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyKYXZILWTVUCZGI-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea (CID 2382570) is 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea is CCN(C(=S)NCCOC)c1cccc2ccccc12.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea?
The InChIKey is KYXZILWTVUCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-18(16(20)17-11-12-19-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea?
1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea has a molecular weight of 288.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-1-naphthalen-1-ylthiourea is sourced from PubChem (CID 2382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).