N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide

C18H10ClFN2O3S — CID 25163587

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C18H10ClFN2O3S/c19-10-4-1-5-11(20)14(10)17(23)22-18-21-15(12-6-2-8-24-12)16(26-18)13-7-3-9-25-13/h1-9H,(H,21,22,23)
InChIKeyAXIFGVDTBQXAKX-UHFFFAOYSA-N
MW388.81 g/mol
LogP5.71
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide (PubChem CID 25163587) has the molecular formula C18H10ClFN2O3S and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
PubChem CID25163587
Molecular FormulaC18H10ClFN2O3S
Molecular Weight388.81 g/mol
Exact Mass388.01
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(F)cccc1Cl
InChIInChI=1S/C18H10ClFN2O3S/c19-10-4-1-5-11(20)14(10)17(23)22-18-21-15(12-6-2-8-24-12)16(26-18)13-7-3-9-25-13/h1-9H,(H,21,22,23)
InChIKeyAXIFGVDTBQXAKX-UHFFFAOYSA-N
XLogP5.71
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.81
LogP ≤ 55.71
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-chloro-6-fluorobenzamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide (CID 25163587) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(F)cccc1Cl.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is AXIFGVDTBQXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O3S/c19-10-4-1-5-11(20)14(10)17(23)22-18-21-15(12-6-2-8-24-12)16(26-18)13-7-3-9-25-13/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-chloro-6-fluorobenzamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 388.81 g/mol, XLogP of 5.71, 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-chloro-6-fluorobenzamide is sourced from PubChem (CID 25163587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).