N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

C15H11N3O4S — CID 2370425

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1
InChIInChI=1S/C15H11N3O4S/c1-9-2-4-10(5-3-9)11-8-23-15(16-11)17-14(19)12-6-7-13(22-12)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyMWZVPIWQQSIGNW-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.87
Rot. Bonds4

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (PubChem CID 2370425) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
PubChem CID2370425
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1
InChIInChI=1S/C15H11N3O4S/c1-9-2-4-10(5-3-9)11-8-23-15(16-11)17-14(19)12-6-7-13(22-12)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyMWZVPIWQQSIGNW-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide (CID 2370425) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is MWZVPIWQQSIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-9-2-4-10(5-3-9)11-8-23-15(16-11)17-14(19)12-6-7-13(22-12)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-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-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2370425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).