N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide

C16H16FN3O2S2 — CID 176509368

IUPACN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cnc2ncsc2c1
InChIInChI=1S/C16H16FN3O2S2/c1-3-20(11(2)12-4-6-13(17)7-5-12)24(21,22)14-8-15-16(18-9-14)19-10-23-15/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyPBVRAVYEUAEMIQ-NSHDSACASA-N
MW365.46 g/mol
LogP3.60
Rot. Bonds5

About N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide

N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide (PubChem CID 176509368) has the molecular formula C16H16FN3O2S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide
PubChem CID176509368
Molecular FormulaC16H16FN3O2S2
Molecular Weight365.46 g/mol
Exact Mass365.07
IUPAC NameN-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide
SMILESCCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cnc2ncsc2c1
InChIInChI=1S/C16H16FN3O2S2/c1-3-20(11(2)12-4-6-13(17)7-5-12)24(21,22)14-8-15-16(18-9-14)19-10-23-15/h4-11H,3H2,1-2H3/t11-/m0/s1
InChIKeyPBVRAVYEUAEMIQ-NSHDSACASA-N
XLogP3.60
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide?
The IUPAC name of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide (CID 176509368) is N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide is CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)c1cnc2ncsc2c1.
What is the InChIKey of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide?
The InChIKey is PBVRAVYEUAEMIQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2S2/c1-3-20(11(2)12-4-6-13(17)7-5-12)24(21,22)14-8-15-16(18-9-14)19-10-23-15/h4-11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide?
N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-[1,3]thiazolo[4,5-b]pyridine-6-sulfonamide is sourced from PubChem (CID 176509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).