O-ethyl N-pyridin-4-ylcarbamothioate

C8H10N2OS — CID 14528943

IUPACO-ethyl N-pyridin-4-ylcarbamothioate
SMILESCCOC(=S)Nc1ccncc1
InChIInChI=1S/C8H10N2OS/c1-2-11-8(12)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,12)
InChIKeyMHADBPIPIPILBV-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.81
Rot. Bonds2

About O-ethyl N-pyridin-4-ylcarbamothioate

O-ethyl N-pyridin-4-ylcarbamothioate (PubChem CID 14528943) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is O-ethyl N-pyridin-4-ylcarbamothioate.

Molecular Properties

Compound NameO-ethyl N-pyridin-4-ylcarbamothioate
PubChem CID14528943
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameO-ethyl N-pyridin-4-ylcarbamothioate
SMILESCCOC(=S)Nc1ccncc1
InChIInChI=1S/C8H10N2OS/c1-2-11-8(12)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,12)
InChIKeyMHADBPIPIPILBV-UHFFFAOYSA-N
XLogP1.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(O-ethyl N-(4-nitrophenyl)carbamothioate);4-pyridin-4-ylpyridine
CID 139194362
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
2-carbamothioyl-2-methyl-N-pyridin-4-ylbutanamide
CID 114291848
1-(4-methoxyphenyl)-3-pyridin-4-ylthiourea
CID 12969522
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
1-(3-methylphenyl)-3-pyridin-4-ylthiourea
CID 19655574
O-(2-pyridin-4-ylethyl) N-(4-nitrophenyl)carbamothioate
CID 44560177
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
O-propyl N-[2-methyl-5-(propoxycarbothioylamino)phenyl]carbamothioate
CID 118643367
1-[(2,6-dimethylphenyl)methyl]-1-ethyl-3-pyridin-4-ylthiourea
CID 3399862
2-bromo-N-pyridin-4-yl-1,3-thiazole-4-carboxamide;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158501248

Frequently Asked Questions

What is the IUPAC name of O-ethyl N-pyridin-4-ylcarbamothioate?
The IUPAC name of O-ethyl N-pyridin-4-ylcarbamothioate (CID 14528943) is O-ethyl N-pyridin-4-ylcarbamothioate.
What is the SMILES notation for O-ethyl N-pyridin-4-ylcarbamothioate?
The canonical SMILES for O-ethyl N-pyridin-4-ylcarbamothioate is CCOC(=S)Nc1ccncc1.
What is the InChIKey of O-ethyl N-pyridin-4-ylcarbamothioate?
The InChIKey is MHADBPIPIPILBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-2-11-8(12)10-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H,9,10,12).
What are the key properties of O-ethyl N-pyridin-4-ylcarbamothioate?
O-ethyl N-pyridin-4-ylcarbamothioate has a molecular weight of 182.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl N-pyridin-4-ylcarbamothioate is sourced from PubChem (CID 14528943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).