1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide

C10H14N2O3S — CID 107017767

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide
SMILESNC(=S)c1cccn(CCOCCO)c1=O
InChIInChI=1S/C10H14N2O3S/c11-9(16)8-2-1-3-12(10(8)14)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,16)
InChIKeyRPYKDVWOHXXCNB-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.51
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide

1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide (PubChem CID 107017767) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide
PubChem CID107017767
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide
SMILESNC(=S)c1cccn(CCOCCO)c1=O
InChIInChI=1S/C10H14N2O3S/c11-9(16)8-2-1-3-12(10(8)14)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,16)
InChIKeyRPYKDVWOHXXCNB-UHFFFAOYSA-N
XLogP-0.51
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-1-[2-(trifluoromethoxy)ethyl]pyridine-3-carbothioamide
CID 107017861
2-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carbothioamide
CID 107017881
N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47935706
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 78856548
N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537340
N,N-bis(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537359
N-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537727
N-(2-hydroxyethyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 129272774
1-(2-Hydroxy-1-methoxyethyl)-2-oxopyridine-3-carboxamide
CID 134278029
1-[2-(2-hydroxyethoxy)ethyl]-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330970
1-[2-(2-Hydroxyethoxy)ethyl]-2-sulfanylidenepyridine-3-carboxamide
CID 146452049
1-(2-Hydroxyethyl)-2-sulfanylidenepyridine-3-carboxamide
CID 146452050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide (CID 107017767) is 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide is NC(=S)c1cccn(CCOCCO)c1=O.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide?
The InChIKey is RPYKDVWOHXXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-9(16)8-2-1-3-12(10(8)14)4-6-15-7-5-13/h1-3,13H,4-7H2,(H2,11,16).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide?
1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide has a molecular weight of 242.30 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107017767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).