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

C8H6ClN3O3S2 — CID 23724220

IUPACN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C8H5N3O3S2.ClH/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14;/h1-4H,(H,9,10,12);1H
InChIKeyMOMYNTLFJILYDI-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.79
Rot. Bonds3

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

N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 23724220) has the molecular formula C8H6ClN3O3S2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID23724220
Molecular FormulaC8H6ClN3O3S2
Molecular Weight291.74 g/mol
Exact Mass290.95
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
InChIInChI=1S/C8H5N3O3S2.ClH/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14;/h1-4H,(H,9,10,12);1H
InChIKeyMOMYNTLFJILYDI-UHFFFAOYSA-N
XLogP2.79
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.79
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;hydrochloride?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride (CID 23724220) is N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is MOMYNTLFJILYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3S2.ClH/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14;/h1-4H,(H,9,10,12);1H.
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride?
N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 2.79, 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;hydrochloride is sourced from PubChem (CID 23724220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).