3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C13H14N4O3S2 — CID 75522790

IUPAC3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NCCc3cscn3)cc12
InChIInChI=1S/C13H14N4O3S2/c1-2-12-11-5-10(6-14-13(11)20-17-12)22(18,19)16-4-3-9-7-21-8-15-9/h5-8,16H,2-4H2,1H3
InChIKeyZKDWDHAYGPARDZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.76
Rot. Bonds6

About 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 75522790) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID75522790
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NCCc3cscn3)cc12
InChIInChI=1S/C13H14N4O3S2/c1-2-12-11-5-10(6-14-13(11)20-17-12)22(18,19)16-4-3-9-7-21-8-15-9/h5-8,16H,2-4H2,1H3
InChIKeyZKDWDHAYGPARDZ-UHFFFAOYSA-N
XLogP1.76
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide with MolForge

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Related Compounds

N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120875459
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
CID 63823602
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120876503
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 75522790) is 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCc1noc2ncc(S(=O)(=O)NCCc3cscn3)cc12.
What is the InChIKey of 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is ZKDWDHAYGPARDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-2-12-11-5-10(6-14-13(11)20-17-12)22(18,19)16-4-3-9-7-21-8-15-9/h5-8,16H,2-4H2,1H3.
What are the key properties of 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 75522790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).