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

C20H12ClN3O3S — CID 23144525

IUPACN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C20H12ClN3O3S/c21-15-9-8-13(11-22-15)19(26)24-20-23-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12/h1-11H,(H,23,24,26)
InChIKeyRYNFBGKHNMUVFD-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.93
Rot. Bonds5

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

N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide (PubChem CID 23144525) has the molecular formula C20H12ClN3O3S and a molecular weight of 409.85 g/mol. Its IUPAC name is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
PubChem CID23144525
Molecular FormulaC20H12ClN3O3S
Molecular Weight409.85 g/mol
Exact Mass409.03
IUPAC NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)nc1
InChIInChI=1S/C20H12ClN3O3S/c21-15-9-8-13(11-22-15)19(26)24-20-23-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12/h1-11H,(H,23,24,26)
InChIKeyRYNFBGKHNMUVFD-UHFFFAOYSA-N
XLogP4.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide (CID 23144525) is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)nc1.
What is the InChIKey of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The InChIKey is RYNFBGKHNMUVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3S/c21-15-9-8-13(11-22-15)19(26)24-20-23-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12/h1-11H,(H,23,24,26).
What are the key properties of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide has a molecular weight of 409.85 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 23144525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).