1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea

C10H15N3OS — CID 2239331

IUPAC1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCOCCNC(=S)Nc1ncccc1C
InChIInChI=1S/C10H15N3OS/c1-8-4-3-5-11-9(8)13-10(15)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H2,11,12,13,15)
InChIKeyRUHQQIAPTGKKTR-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.32
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea

1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea (PubChem CID 2239331) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea
PubChem CID2239331
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILESCOCCNC(=S)Nc1ncccc1C
InChIInChI=1S/C10H15N3OS/c1-8-4-3-5-11-9(8)13-10(15)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H2,11,12,13,15)
InChIKeyRUHQQIAPTGKKTR-UHFFFAOYSA-N
XLogP1.32
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea (CID 2239331) is 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea is COCCNC(=S)Nc1ncccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea?
The InChIKey is RUHQQIAPTGKKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-4-3-5-11-9(8)13-10(15)12-6-7-14-2/h3-5H,6-7H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea?
1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea has a molecular weight of 225.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 2239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).