N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide

C18H10ClFN4O2S — CID 58703391

IUPACN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1ccncc1F
InChIInChI=1S/C18H10ClFN4O2S/c19-13-2-1-10(18-24-22-9-26-18)7-12(13)15-3-4-16(27-15)23-17(25)11-5-6-21-8-14(11)20/h1-9H,(H,23,25)
InChIKeyPFNAMIILXMEDTB-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.90
Rot. Bonds4

About N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 58703391) has the molecular formula C18H10ClFN4O2S and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID58703391
Molecular FormulaC18H10ClFN4O2S
Molecular Weight400.82 g/mol
Exact Mass400.02
IUPAC NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1ccncc1F
InChIInChI=1S/C18H10ClFN4O2S/c19-13-2-1-10(18-24-22-9-26-18)7-12(13)15-3-4-16(27-15)23-17(25)11-5-6-21-8-14(11)20/h1-9H,(H,23,25)
InChIKeyPFNAMIILXMEDTB-UHFFFAOYSA-N
XLogP4.90
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide (CID 58703391) is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1ccncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is PFNAMIILXMEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN4O2S/c19-13-2-1-10(18-24-22-9-26-18)7-12(13)15-3-4-16(27-15)23-17(25)11-5-6-21-8-14(11)20/h1-9H,(H,23,25).
What are the key properties of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 58703391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).