N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide

C20H13N3O4S — CID 1208686

IUPACN-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1
InChIInChI=1S/C20H13N3O4S/c24-19(16-7-4-12-27-16)22-20-21-17(13-5-2-1-3-6-13)18(28-20)14-8-10-15(11-9-14)23(25)26/h1-12H,(H,21,22,24)
InChIKeyXLYQXCKONVDSLU-UHFFFAOYSA-N
MW391.41 g/mol
LogP5.23
Rot. Bonds5

About N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 1208686) has the molecular formula C20H13N3O4S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID1208686
Molecular FormulaC20H13N3O4S
Molecular Weight391.41 g/mol
Exact Mass391.06
IUPAC NameN-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1
InChIInChI=1S/C20H13N3O4S/c24-19(16-7-4-12-27-16)22-20-21-17(13-5-2-1-3-6-13)18(28-20)14-8-10-15(11-9-14)23(25)26/h1-12H,(H,21,22,24)
InChIKeyXLYQXCKONVDSLU-UHFFFAOYSA-N
XLogP5.23
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 126059630
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 18279241
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 126057430
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 126060321
1,1,1-trifluoro-N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]methanesulfonamide
CID 15838552
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 2279983
2-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoic acid
CID 19133212
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 1208686) is N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1.
What is the InChIKey of N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is XLYQXCKONVDSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O4S/c24-19(16-7-4-12-27-16)22-20-21-17(13-5-2-1-3-6-13)18(28-20)14-8-10-15(11-9-14)23(25)26/h1-12H,(H,21,22,24).
What are the key properties of N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).