6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

C11H10N4O2S2 — CID 115616292

IUPAC6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1nccs1
InChIInChI=1S/C11H10N4O2S2/c1-8(11-13-4-5-18-11)15-19(16,17)10-3-2-9(6-12)14-7-10/h2-5,7-8,15H,1H3
InChIKeyMCHMWDZKGMAUFE-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.45
Rot. Bonds4

About 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 115616292) has the molecular formula C11H10N4O2S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID115616292
Molecular FormulaC11H10N4O2S2
Molecular Weight294.36 g/mol
Exact Mass294.02
IUPAC Name6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1nccs1
InChIInChI=1S/C11H10N4O2S2/c1-8(11-13-4-5-18-11)15-19(16,17)10-3-2-9(6-12)14-7-10/h2-5,7-8,15H,1H3
InChIKeyMCHMWDZKGMAUFE-UHFFFAOYSA-N
XLogP1.45
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
CID 20647122
N2-(3-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795737
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 3239290
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310121
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 5310288
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}thiophene-2-sulfonamide
CID 5310371
5-ethyl-N-[[2-(3-pyridinyl)-4-thiazolyl]methyl]-2-thiophenesulfonamide
CID 5310463
2,5-difluoro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzenesulfonamide
CID 7119061
5-ethyl-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)thiophene-2-sulfonamide
CID 9551571
4-(Tert-butyl)-2-[(2-pyridylsulfonyl)methyl]-1,3-thiazole
CID 2744018
N2-(2-pyridylmethyl)-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795736

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 115616292) is 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(C#N)nc1)c1nccs1.
What is the InChIKey of 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is MCHMWDZKGMAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S2/c1-8(11-13-4-5-18-11)15-19(16,17)10-3-2-9(6-12)14-7-10/h2-5,7-8,15H,1H3.
What are the key properties of 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115616292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).