N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide

C18H10F2N2O3S — CID 7916702

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H10F2N2O3S/c19-10-5-6-11(12(20)9-10)17(23)22-18-21-15(13-3-1-7-24-13)16(26-18)14-4-2-8-25-14/h1-9H,(H,21,22,23)
InChIKeyFSKPSQDYVQREKX-UHFFFAOYSA-N
MW372.35 g/mol
LogP5.19
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 7916702) has the molecular formula C18H10F2N2O3S and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
PubChem CID7916702
Molecular FormulaC18H10F2N2O3S
Molecular Weight372.35 g/mol
Exact Mass372.04
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H10F2N2O3S/c19-10-5-6-11(12(20)9-10)17(23)22-18-21-15(13-3-1-7-24-13)16(26-18)14-4-2-8-25-14/h1-9H,(H,21,22,23)
InChIKeyFSKPSQDYVQREKX-UHFFFAOYSA-N
XLogP5.19
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide (CID 7916702) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The InChIKey is FSKPSQDYVQREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2O3S/c19-10-5-6-11(12(20)9-10)17(23)22-18-21-15(13-3-1-7-24-13)16(26-18)14-4-2-8-25-14/h1-9H,(H,21,22,23).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 372.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 7916702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).