N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide

C10H8Cl2N4O2S — CID 71917382

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-3-7(12)10(14-4-6)18-2-1-13-9(17)8-5-19-16-15-8/h3-5H,1-2H2,(H,13,17)
InChIKeyWBYSFJLITAHAHY-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.05
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide (PubChem CID 71917382) has the molecular formula C10H8Cl2N4O2S and a molecular weight of 319.17 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
PubChem CID71917382
Molecular FormulaC10H8Cl2N4O2S
Molecular Weight319.17 g/mol
Exact Mass317.97
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCOc1ncc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C10H8Cl2N4O2S/c11-6-3-7(12)10(14-4-6)18-2-1-13-9(17)8-5-19-16-15-8/h3-5H,1-2H2,(H,13,17)
InChIKeyWBYSFJLITAHAHY-UHFFFAOYSA-N
XLogP2.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
2-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900842
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71969137
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 120613513
N-[2-(2-methoxyethylamino)ethyl]thiadiazole-4-carboxamide
CID 82993492
N-(2-piperidin-4-yloxyethyl)thiadiazole-4-carboxamide
CID 65215902
N-(5-iodopentyl)thiadiazole-4-carboxamide
CID 107322221
3-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006806
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide (CID 71917382) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide is O=C(NCCOc1ncc(Cl)cc1Cl)c1csnn1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide?
The InChIKey is WBYSFJLITAHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2S/c11-6-3-7(12)10(14-4-6)18-2-1-13-9(17)8-5-19-16-15-8/h3-5H,1-2H2,(H,13,17).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide has a molecular weight of 319.17 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 71917382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).