N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide

C10H8F2N4O2S — CID 119043093

IUPACN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)c1cnsn1
InChIInChI=1S/C10H8F2N4O2S/c11-7(12)5-18-9-3-1-2-8(14-9)15-10(17)6-4-13-19-16-6/h1-4,7H,5H2,(H,14,15,17)
InChIKeyHTANBGKAPIOSQH-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.83
Rot. Bonds5

About N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 119043093) has the molecular formula C10H8F2N4O2S and a molecular weight of 286.26 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID119043093
Molecular FormulaC10H8F2N4O2S
Molecular Weight286.26 g/mol
Exact Mass286.03
IUPAC NameN-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cccc(OCC(F)F)n1)c1cnsn1
InChIInChI=1S/C10H8F2N4O2S/c11-7(12)5-18-9-3-1-2-8(14-9)15-10(17)6-4-13-19-16-6/h1-4,7H,5H2,(H,14,15,17)
InChIKeyHTANBGKAPIOSQH-UHFFFAOYSA-N
XLogP1.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1H-pyrazole-5-carboxamide
CID 119043080
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]oxane-4-carboxamide
CID 75436669
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1,2,5-oxadiazol-3-ylmethyl)urea
CID 154771848
4-[[6-(2,2-difluoroethoxy)-2-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122090044
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
6-(2,2-difluoroethoxy)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-2-carboxamide
CID 126779362
5-(2,2-difluoroethoxy)pyrazine-2-carbonyl chloride
CID 121268136
ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 143738550
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
CID 103213848
N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040886
N-(3-amino-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 62058615

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide (CID 119043093) is N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1cccc(OCC(F)F)n1)c1cnsn1.
What is the InChIKey of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is HTANBGKAPIOSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2S/c11-7(12)5-18-9-3-1-2-8(14-9)15-10(17)6-4-13-19-16-6/h1-4,7H,5H2,(H,14,15,17).
What are the key properties of N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide?
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 119043093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).