N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C8H5N3O3S2 — CID 19646

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IUPACN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKeyZLOXYEZYWCTXHU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.37
Rot. Bonds3

About N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 19646) has the molecular formula C8H5N3O3S2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID19646
Molecular FormulaC8H5N3O3S2
Molecular Weight255.28 g/mol
Exact Mass254.98
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
InChIKeyZLOXYEZYWCTXHU-UHFFFAOYSA-N
XLogP2.37
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.37
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-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 19646) is N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZLOXYEZYWCTXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).