1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea

C18H24N4OS — CID 46889788

IUPAC1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea
SMILESCN(CCOCCNC(=S)Nc1ccccn1)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-22(15-16-7-3-2-4-8-16)12-14-23-13-11-20-18(24)21-17-9-5-6-10-19-17/h2-10H,11-15H2,1H3,(H2,19,20,21,24)
InChIKeyUQQDDFLWSGLUNL-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.52
Rot. Bonds9

About 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea

1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea (PubChem CID 46889788) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea
PubChem CID46889788
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea
SMILESCN(CCOCCNC(=S)Nc1ccccn1)Cc1ccccc1
InChIInChI=1S/C18H24N4OS/c1-22(15-16-7-3-2-4-8-16)12-14-23-13-11-20-18(24)21-17-9-5-6-10-19-17/h2-10H,11-15H2,1H3,(H2,19,20,21,24)
InChIKeyUQQDDFLWSGLUNL-UHFFFAOYSA-N
XLogP2.52
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea?
The IUPAC name of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea (CID 46889788) is 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea is CN(CCOCCNC(=S)Nc1ccccn1)Cc1ccccc1.
What is the InChIKey of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea?
The InChIKey is UQQDDFLWSGLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-22(15-16-7-3-2-4-8-16)12-14-23-13-11-20-18(24)21-17-9-5-6-10-19-17/h2-10H,11-15H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea?
1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea has a molecular weight of 344.48 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-pyridin-2-ylthiourea is sourced from PubChem (CID 46889788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).