N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide

C15H11N3O4S — CID 4782855

IUPACN-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1
InChIInChI=1S/C15H11N3O4S/c1-9-8-16-15(23-9)17-14(19)13-7-6-12(22-13)10-2-4-11(5-3-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyKGSGDAYXLFFDJL-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.87
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 4782855) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID4782855
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1
InChIInChI=1S/C15H11N3O4S/c1-9-8-16-15(23-9)17-14(19)13-7-6-12(22-13)10-2-4-11(5-3-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyKGSGDAYXLFFDJL-UHFFFAOYSA-N
XLogP3.87
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.87
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

5-(3-nitrophenyl)-N-{5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}-2-furamide
CID 1298265
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 844462
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 1424069
N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-2-furamide
CID 724162
5-(3-nitrophenyl)-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}-2-furamide
CID 1298953
N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2673057
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 646081
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401
N-(5-benzyl-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
CID 652850
5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 946446
5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 975008

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 4782855) is N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide is Cc1cnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is KGSGDAYXLFFDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-9-8-16-15(23-9)17-14(19)13-7-6-12(22-13)10-2-4-11(5-3-10)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 4782855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).