N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide

C10H11N3OS — CID 3049955

IUPACN-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide
SMILESCN1CCS/C1=N/C(=O)c1cccnc1
InChIInChI=1S/C10H11N3OS/c1-13-5-6-15-10(13)12-9(14)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3/b12-10+
InChIKeyZLMLIUNCFWMYBB-ZRDIBKRKSA-N
MW221.29 g/mol
LogP1.26
Rot. Bonds1

About N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide

N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide (PubChem CID 3049955) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide
PubChem CID3049955
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide
SMILESCN1CCS/C1=N/C(=O)c1cccnc1
InChIInChI=1S/C10H11N3OS/c1-13-5-6-15-10(13)12-9(14)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3/b12-10+
InChIKeyZLMLIUNCFWMYBB-ZRDIBKRKSA-N
XLogP1.26
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide (CID 3049955) is N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide is CN1CCS/C1=N/C(=O)c1cccnc1.
What is the InChIKey of N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide?
The InChIKey is ZLMLIUNCFWMYBB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13-5-6-15-10(13)12-9(14)8-3-2-4-11-7-8/h2-4,7H,5-6H2,1H3/b12-10+.
What are the key properties of N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide?
N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide has a molecular weight of 221.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazolidin-2-ylidene)pyridine-3-carboxamide is sourced from PubChem (CID 3049955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).