3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

C15H20N2O2S — CID 58808611

IUPAC3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNCCO)s2)c(C)[nH]c1=O
InChIInChI=1S/C15H20N2O2S/c1-3-11-8-13(10(2)17-15(11)19)14-5-4-12(20-14)9-16-6-7-18/h4-5,8,16,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyVZHAQDZOCAHVHR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.06
Rot. Bonds6

About 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one

3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (PubChem CID 58808611) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
PubChem CID58808611
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc(CNCCO)s2)c(C)[nH]c1=O
InChIInChI=1S/C15H20N2O2S/c1-3-11-8-13(10(2)17-15(11)19)14-5-4-12(20-14)9-16-6-7-18/h4-5,8,16,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyVZHAQDZOCAHVHR-UHFFFAOYSA-N
XLogP2.06
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one (CID 58808611) is 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is CCc1cc(-c2ccc(CNCCO)s2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
The InChIKey is VZHAQDZOCAHVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-11-8-13(10(2)17-15(11)19)14-5-4-12(20-14)9-16-6-7-18/h4-5,8,16,18H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one?
3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one has a molecular weight of 292.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58808611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).