N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide

C19H20ClFN2O2S2 — CID 134229042

IUPACN-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc2scc(Cl)n2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O2S2/c1-11(22-27(25)19(2,3)4)14-9-16-23(15(20)10-26-16)18(24)17(14)12-6-5-7-13(21)8-12/h5-11,22H,1-4H3
InChIKeyOFLUOQXFJPKEOM-UHFFFAOYSA-N
MW426.97 g/mol
LogP4.93
Rot. Bonds4

About N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134229042) has the molecular formula C19H20ClFN2O2S2 and a molecular weight of 426.97 g/mol. Its IUPAC name is N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID134229042
Molecular FormulaC19H20ClFN2O2S2
Molecular Weight426.97 g/mol
Exact Mass426.06
IUPAC NameN-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cc2scc(Cl)n2c(=O)c1-c1cccc(F)c1
InChIInChI=1S/C19H20ClFN2O2S2/c1-11(22-27(25)19(2,3)4)14-9-16-23(15(20)10-26-16)18(24)17(14)12-6-5-7-13(21)8-12/h5-11,22H,1-4H3
InChIKeyOFLUOQXFJPKEOM-UHFFFAOYSA-N
XLogP4.93
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 134229042) is N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cc2scc(Cl)n2c(=O)c1-c1cccc(F)c1.
What is the InChIKey of N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OFLUOQXFJPKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2S2/c1-11(22-27(25)19(2,3)4)14-9-16-23(15(20)10-26-16)18(24)17(14)12-6-5-7-13(21)8-12/h5-11,22H,1-4H3.
What are the key properties of N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide?
N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 426.97 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-6-(3-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134229042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).