N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide

C13H14FN3O2S2 — CID 59580759

IUPACN-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
SMILESCN(C(=O)CCS(C)=O)c1cnc(-c2cncc(F)c2)s1
InChIInChI=1S/C13H14FN3O2S2/c1-17(11(18)3-4-21(2)19)12-8-16-13(20-12)9-5-10(14)7-15-6-9/h5-8H,3-4H2,1-2H3
InChIKeyUZFWATRJWFJEOO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide

N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide (PubChem CID 59580759) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
PubChem CID59580759
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
SMILESCN(C(=O)CCS(C)=O)c1cnc(-c2cncc(F)c2)s1
InChIInChI=1S/C13H14FN3O2S2/c1-17(11(18)3-4-21(2)19)12-8-16-13(20-12)9-5-10(14)7-15-6-9/h5-8H,3-4H2,1-2H3
InChIKeyUZFWATRJWFJEOO-UHFFFAOYSA-N
XLogP2.08
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide (CID 59580759) is N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide is CN(C(=O)CCS(C)=O)c1cnc(-c2cncc(F)c2)s1.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide?
The InChIKey is UZFWATRJWFJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c1-17(11(18)3-4-21(2)19)12-8-16-13(20-12)9-5-10(14)7-15-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).