2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide

C13H16N4O2S2 — CID 60892285

IUPAC2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H16N4O2S2/c18-21(19,8-4-10-1-5-14-6-2-10)17-13-16-11-3-7-15-9-12(11)20-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17)
InChIKeyPFLNRCCIHZBPPW-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.17
Rot. Bonds5

About 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide

2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide (PubChem CID 60892285) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide
PubChem CID60892285
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H16N4O2S2/c18-21(19,8-4-10-1-5-14-6-2-10)17-13-16-11-3-7-15-9-12(11)20-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17)
InChIKeyPFLNRCCIHZBPPW-UHFFFAOYSA-N
XLogP1.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide?
The IUPAC name of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide (CID 60892285) is 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide?
The canonical SMILES for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide is O=S(=O)(CCc1ccncc1)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide?
The InChIKey is PFLNRCCIHZBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c18-21(19,8-4-10-1-5-14-6-2-10)17-13-16-11-3-7-15-9-12(11)20-13/h1-2,5-6,15H,3-4,7-9H2,(H,16,17).
What are the key properties of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide?
2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanesulfonamide is sourced from PubChem (CID 60892285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).