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

C18H9ClF2N4O2S — CID 58703379

IUPACN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C18H9ClF2N4O2S/c19-11-2-1-9(18-25-23-8-27-18)5-10(11)14-3-4-15(28-14)24-17(26)16-12(20)6-22-7-13(16)21/h1-8H,(H,24,26)
InChIKeyHITMRZCDQKQPRQ-UHFFFAOYSA-N
MW418.81 g/mol
LogP5.04
Rot. Bonds4

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

N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 58703379) has the molecular formula C18H9ClF2N4O2S and a molecular weight of 418.81 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID58703379
Molecular FormulaC18H9ClF2N4O2S
Molecular Weight418.81 g/mol
Exact Mass418.01
IUPAC NameN-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1c(F)cncc1F
InChIInChI=1S/C18H9ClF2N4O2S/c19-11-2-1-9(18-25-23-8-27-18)5-10(11)14-3-4-15(28-14)24-17(26)16-12(20)6-22-7-13(16)21/h1-8H,(H,24,26)
InChIKeyHITMRZCDQKQPRQ-UHFFFAOYSA-N
XLogP5.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 55.04
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]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 58703379) is N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3nnco3)ccc2Cl)s1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is HITMRZCDQKQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N4O2S/c19-11-2-1-9(18-25-23-8-27-18)5-10(11)14-3-4-15(28-14)24-17(26)16-12(20)6-22-7-13(16)21/h1-8H,(H,24,26).
What are the key properties of N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 418.81 g/mol, XLogP of 5.04, 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]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 58703379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).