N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide

C61H39FN8O10S3 — CID 158305858

IUPACN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccccc1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccncc1
InChIInChI=1S/C21H13FN2O3S.C20H13N3O4S.C20H13N3O3S/c22-15-10-8-13(9-11-15)18(25)19-17(16-7-4-12-27-16)23-21(28-19)24-20(26)14-5-2-1-3-6-14;24-15-9-8-13(11-21-15)19(26)23-20-22-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12;24-17(13-5-2-1-3-6-13)18-16(15-7-4-12-26-15)22-20(27-18)23-19(25)14-8-10-21-11-9-14/h1-12H,(H,23,24,26);1-11H,(H,21,24)(H,22,23,26);1-12H,(H,22,23,25)
InChIKeyGNBMUAVQOVYKFD-UHFFFAOYSA-N
MW1159.23 g/mol
LogP12.88
Rot. Bonds15

About N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide

N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 158305858) has the molecular formula C61H39FN8O10S3 and a molecular weight of 1159.23 g/mol. Its IUPAC name is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID158305858
Molecular FormulaC61H39FN8O10S3
Molecular Weight1159.23 g/mol
Exact Mass1158.19
IUPAC NameN-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccccc1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccncc1
InChIInChI=1S/C21H13FN2O3S.C20H13N3O4S.C20H13N3O3S/c22-15-10-8-13(9-11-15)18(25)19-17(16-7-4-12-27-16)23-21(28-19)24-20(26)14-5-2-1-3-6-14;24-15-9-8-13(11-21-15)19(26)23-20-22-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12;24-17(13-5-2-1-3-6-13)18-16(15-7-4-12-26-15)22-20(27-18)23-19(25)14-8-10-21-11-9-14/h1-12H,(H,23,24,26);1-11H,(H,21,24)(H,22,23,26);1-12H,(H,22,23,25)
InChIKeyGNBMUAVQOVYKFD-UHFFFAOYSA-N
XLogP12.88
TPSA262.35 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001159.23
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144285
N-[4-(furan-2-yl)-5-(pyrimidine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144188
N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144556
N-[2-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 66967821
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
CID 23144669
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]pyridazine-4-carboxamide
CID 23144788
N-[4-(furan-2-yl)-5-piperidin-1-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144164

Frequently Asked Questions

What is the IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide (CID 158305858) is N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccccc1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccc(=O)[nH]c1.O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1)c1ccncc1.
What is the InChIKey of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GNBMUAVQOVYKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3S.C20H13N3O4S.C20H13N3O3S/c22-15-10-8-13(9-11-15)18(25)19-17(16-7-4-12-27-16)23-21(28-19)24-20(26)14-5-2-1-3-6-14;24-15-9-8-13(11-21-15)19(26)23-20-22-16(14-7-4-10-27-14)18(28-20)17(25)12-5-2-1-3-6-12;24-17(13-5-2-1-3-6-13)18-16(15-7-4-12-26-15)22-20(27-18)23-19(25)14-8-10-21-11-9-14/h1-12H,(H,23,24,26);1-11H,(H,21,24)(H,22,23,26);1-12H,(H,22,23,25).
What are the key properties of N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide?
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 1159.23 g/mol, XLogP of 12.88, 15 rotatable bonds, 4 hydrogen bond donors, and 17 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-oxo-1H-pyridine-3-carboxamide;N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 158305858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).