1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide

C18H11FN4O3S — CID 167947686

IUPAC1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1ccc(=O)n(-c2cccc(F)c2)c1
InChIInChI=1S/C18H11FN4O3S/c19-12-3-1-4-13(9-12)23-10-11(6-7-15(23)24)16(25)20-18-22-21-17(27-18)14-5-2-8-26-14/h1-10H,(H,20,22,25)
InChIKeyYVFROGISNILXHU-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide

1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 167947686) has the molecular formula C18H11FN4O3S and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide
PubChem CID167947686
Molecular FormulaC18H11FN4O3S
Molecular Weight382.38 g/mol
Exact Mass382.05
IUPAC Name1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)c1ccc(=O)n(-c2cccc(F)c2)c1
InChIInChI=1S/C18H11FN4O3S/c19-12-3-1-4-13(9-12)23-10-11(6-7-15(23)24)16(25)20-18-22-21-17(27-18)14-5-2-8-26-14/h1-10H,(H,20,22,25)
InChIKeyYVFROGISNILXHU-UHFFFAOYSA-N
XLogP3.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide (CID 167947686) is 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide is O=C(Nc1nnc(-c2ccco2)s1)c1ccc(=O)n(-c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is YVFROGISNILXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O3S/c19-12-3-1-4-13(9-12)23-10-11(6-7-15(23)24)16(25)20-18-22-21-17(27-18)14-5-2-8-26-14/h1-10H,(H,20,22,25).
What are the key properties of 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide?
1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 382.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 167947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).