N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride

C9H8ClN3O2S2 — CID 2788163

IUPACN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1C(=O)CSC1=S)c1cccnc1
InChIInChI=1S/C9H7N3O2S2.ClH/c13-7-5-16-9(15)12(7)11-8(14)6-2-1-3-10-4-6;/h1-4H,5H2,(H,11,14);1H
InChIKeyUUHVEKWRBYIFQE-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.01
Rot. Bonds2

About N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride

N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 2788163) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID2788163
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1C(=O)CSC1=S)c1cccnc1
InChIInChI=1S/C9H7N3O2S2.ClH/c13-7-5-16-9(15)12(7)11-8(14)6-2-1-3-10-4-6;/h1-4H,5H2,(H,11,14);1H
InChIKeyUUHVEKWRBYIFQE-UHFFFAOYSA-N
XLogP1.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride (CID 2788163) is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(NN1C(=O)CSC1=S)c1cccnc1.
What is the InChIKey of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is UUHVEKWRBYIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S2.ClH/c13-7-5-16-9(15)12(7)11-8(14)6-2-1-3-10-4-6;/h1-4H,5H2,(H,11,14);1H.
What are the key properties of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride?
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 289.77 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 2788163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).