N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide

C14H16FN3O3S2 — CID 59580925

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)(=O)=O
InChIInChI=1S/C14H16FN3O3S2/c1-8(7-23(3,20)21)12(19)18-13-9(2)17-14(22-13)10-4-11(15)6-16-5-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyJSYPCAJMCMBQDD-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide (PubChem CID 59580925) has the molecular formula C14H16FN3O3S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
PubChem CID59580925
Molecular FormulaC14H16FN3O3S2
Molecular Weight357.43 g/mol
Exact Mass357.06
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)(=O)=O
InChIInChI=1S/C14H16FN3O3S2/c1-8(7-23(3,20)21)12(19)18-13-9(2)17-14(22-13)10-4-11(15)6-16-5-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyJSYPCAJMCMBQDD-UHFFFAOYSA-N
XLogP2.27
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide (CID 59580925) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide is Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)(=O)=O.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide?
The InChIKey is JSYPCAJMCMBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S2/c1-8(7-23(3,20)21)12(19)18-13-9(2)17-14(22-13)10-4-11(15)6-16-5-10/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide has a molecular weight of 357.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 59580925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).