N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide

C9H7N3O4S — CID 24687249

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H7N3O4S/c1-11-4-5-17-9(11)10-8(13)6-2-3-7(16-6)12(14)15/h2-5H,1H3/b10-9-
InChIKeyDCCKNHAUKSMADT-KTKRTIGZSA-N
MW253.24 g/mol
LogP1.33
Rot. Bonds2

About N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide (PubChem CID 24687249) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide
PubChem CID24687249
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H7N3O4S/c1-11-4-5-17-9(11)10-8(13)6-2-3-7(16-6)12(14)15/h2-5H,1H3/b10-9-
InChIKeyDCCKNHAUKSMADT-KTKRTIGZSA-N
XLogP1.33
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
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-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide (CID 24687249) is N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide is Cn1ccs/c1=N\C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide?
The InChIKey is DCCKNHAUKSMADT-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-11-4-5-17-9(11)10-8(13)6-2-3-7(16-6)12(14)15/h2-5H,1H3/b10-9-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide has a molecular weight of 253.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 24687249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).