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

C14H16FN3O2S2 — CID 59580472

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)=O
InChIInChI=1S/C14H16FN3O2S2/c1-8(7-22(3)20)12(19)18-13-9(2)17-14(21-13)10-4-11(15)6-16-5-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyLIRCWHFYESMTRA-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.61
Rot. Bonds5

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide (PubChem CID 59580472) has the molecular formula C14H16FN3O2S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide
PubChem CID59580472
Molecular FormulaC14H16FN3O2S2
Molecular Weight341.43 g/mol
Exact Mass341.07
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)=O
InChIInChI=1S/C14H16FN3O2S2/c1-8(7-22(3)20)12(19)18-13-9(2)17-14(21-13)10-4-11(15)6-16-5-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyLIRCWHFYESMTRA-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylsulfinylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide (CID 59580472) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide is Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)CS(C)=O.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide?
The InChIKey is LIRCWHFYESMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S2/c1-8(7-22(3)20)12(19)18-13-9(2)17-14(21-13)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-methylsulfinylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfinylpropanamide has a molecular weight of 341.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylsulfinylpropanamide is sourced from PubChem (CID 59580472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).