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

C15H11N3O4S — CID 16649035

IUPAC3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)Nc1nccs1
InChIInChI=1S/C15H11N3O4S/c1-9-8-12(10-2-4-11(5-3-10)18(20)21)22-13(9)14(19)17-15-16-6-7-23-15/h2-8H,1H3,(H,16,17,19)
InChIKeyKZRYUULOHURYFO-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.87
Rot. Bonds4

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

3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 16649035) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID16649035
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)Nc1nccs1
InChIInChI=1S/C15H11N3O4S/c1-9-8-12(10-2-4-11(5-3-10)18(20)21)22-13(9)14(19)17-15-16-6-7-23-15/h2-8H,1H3,(H,16,17,19)
InChIKeyKZRYUULOHURYFO-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

4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 72697999
N-[[5-(4-nitrophenyl)furan-2-yl]methyl]-1,3-thiazol-2-amine
CID 4976351
2-(3,4-dimethylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4051011
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 55775292
4-nitro-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 86046963
(Z)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 170918692
2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 171333507
3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
2-(3-methylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050937
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 16649035) is 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is Cc1cc(-c2ccc([N+](=O)[O-])cc2)oc1C(=O)Nc1nccs1.
What is the InChIKey of 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is KZRYUULOHURYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-9-8-12(10-2-4-11(5-3-10)18(20)21)22-13(9)14(19)17-15-16-6-7-23-15/h2-8H,1H3,(H,16,17,19).
What are the key properties of 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)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 3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 16649035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).