4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide

C16H13N3O5S — CID 9094711

IUPAC4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O5S/c1-9-3-5-13(24-9)11-8-25-16(17-11)18-15(20)10-4-6-14(23-2)12(7-10)19(21)22/h3-8H,1-2H3,(H,17,18,20)
InChIKeyYQHUBZJYXXTKES-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.88
Rot. Bonds5

About 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide

4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide (PubChem CID 9094711) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
PubChem CID9094711
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O5S/c1-9-3-5-13(24-9)11-8-25-16(17-11)18-15(20)10-4-6-14(23-2)12(7-10)19(21)22/h3-8H,1-2H3,(H,17,18,20)
InChIKeyYQHUBZJYXXTKES-UHFFFAOYSA-N
XLogP3.88
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-chloro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094660
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide
CID 7921823
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
4-methoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 7917259
4-methoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide
CID 23849497
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 55677206
4-amino-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 8747992
3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 5075767
4-bromo-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 16797086
4-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 7583038
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)-3-nitrobenzamide
CID 8747800

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide (CID 9094711) is 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The InChIKey is YQHUBZJYXXTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c1-9-3-5-13(24-9)11-8-25-16(17-11)18-15(20)10-4-6-14(23-2)12(7-10)19(21)22/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide has a molecular weight of 359.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 9094711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).