N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide

C12H9N5O2S2 — CID 106598860

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C12H9N5O2S2/c13-5-1-3-9-8-16-12(20-9)17-21(18,19)11-4-2-6-15-10(11)7-14/h2,4,6,8H,5,13H2,(H,16,17)
InChIKeySZJDIQPJEHSIGE-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.52
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide (PubChem CID 106598860) has the molecular formula C12H9N5O2S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
PubChem CID106598860
Molecular FormulaC12H9N5O2S2
Molecular Weight319.37 g/mol
Exact Mass319.02
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1ncc(C#CCN)s1
InChIInChI=1S/C12H9N5O2S2/c13-5-1-3-9-8-16-12(20-9)17-21(18,19)11-4-2-6-15-10(11)7-14/h2,4,6,8H,5,13H2,(H,16,17)
InChIKeySZJDIQPJEHSIGE-UHFFFAOYSA-N
XLogP0.52
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-cyanobenzenesulfonamide
CID 60812944
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520
5-(3-aminoprop-1-ynyl)-N-(ethylsulfamoyl)-1,3-thiazol-2-amine
CID 114812032
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62063011
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-3-sulfonamide
CID 106595764
N-(6-amino-3-pyridinyl)-2-cyanopyridine-3-sulfonamide
CID 106598402
5-(3-aminoprop-1-ynyl)-2-(diethylsulfamoylamino)-1,3-thiazole
CID 60815113
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361539
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbutane-1-sulfonamide
CID 63856077
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide (CID 106598860) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1ncc(C#CCN)s1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide?
The InChIKey is SZJDIQPJEHSIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S2/c13-5-1-3-9-8-16-12(20-9)17-21(18,19)11-4-2-6-15-10(11)7-14/h2,4,6,8H,5,13H2,(H,16,17).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide has a molecular weight of 319.37 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106598860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).