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

C17H9Cl2N3O3S — CID 2103772

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C17H9Cl2N3O3S/c18-10-7-9(8-20-15(10)19)16(23)22-17-21-13(11-3-1-5-24-11)14(26-17)12-4-2-6-25-12/h1-8H,(H,21,22,23)
InChIKeyXMFWNWWCQVLRGF-UHFFFAOYSA-N
MW406.25 g/mol
LogP5.62
Rot. Bonds4

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 2103772) has the molecular formula C17H9Cl2N3O3S and a molecular weight of 406.25 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide
PubChem CID2103772
Molecular FormulaC17H9Cl2N3O3S
Molecular Weight406.25 g/mol
Exact Mass404.97
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C17H9Cl2N3O3S/c18-10-7-9(8-20-15(10)19)16(23)22-17-21-13(11-3-1-5-24-11)14(26-17)12-4-2-6-25-12/h1-8H,(H,21,22,23)
InChIKeyXMFWNWWCQVLRGF-UHFFFAOYSA-N
XLogP5.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.25
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide (CID 2103772) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is XMFWNWWCQVLRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O3S/c18-10-7-9(8-20-15(10)19)16(23)22-17-21-13(11-3-1-5-24-11)14(26-17)12-4-2-6-25-12/h1-8H,(H,21,22,23).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 406.25 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 2103772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).