5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide

C9H11N5O2S2 — CID 113383152

IUPAC5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)NCCc2cccnc2)s1
InChIInChI=1S/C9H11N5O2S2/c10-8-13-14-9(17-8)18(15,16)12-5-3-7-2-1-4-11-6-7/h1-2,4,6,12H,3,5H2,(H2,10,13)
InChIKeyWICFTIOAMNZHIU-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.04
Rot. Bonds5

About 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383152) has the molecular formula C9H11N5O2S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383152
Molecular FormulaC9H11N5O2S2
Molecular Weight285.35 g/mol
Exact Mass285.04
IUPAC Name5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)NCCc2cccnc2)s1
InChIInChI=1S/C9H11N5O2S2/c10-8-13-14-9(17-8)18(15,16)12-5-3-7-2-1-4-11-6-7/h1-2,4,6,12H,3,5H2,(H2,10,13)
InChIKeyWICFTIOAMNZHIU-UHFFFAOYSA-N
XLogP0.04
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
4-amino-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 61298806
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-amino-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 60895719
2-amino-5-bromo-4-fluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 106491482
5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 112729910
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide (CID 113383152) is 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)NCCc2cccnc2)s1.
What is the InChIKey of 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is WICFTIOAMNZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S2/c10-8-13-14-9(17-8)18(15,16)12-5-3-7-2-1-4-11-6-7/h1-2,4,6,12H,3,5H2,(H2,10,13).
What are the key properties of 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 285.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).