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

C15H18FN3O2S2 — CID 59580834

IUPACN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
SMILESCCN(C(=O)CCS(C)=O)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C15H18FN3O2S2/c1-4-19(13(20)5-6-23(3)21)15-10(2)18-14(22-15)11-7-12(16)9-17-8-11/h7-9H,4-6H2,1-3H3
InChIKeyIYRDXSSGYSXTFS-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.77
Rot. Bonds6

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

N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide (PubChem CID 59580834) has the molecular formula C15H18FN3O2S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
PubChem CID59580834
Molecular FormulaC15H18FN3O2S2
Molecular Weight355.46 g/mol
Exact Mass355.08
IUPAC NameN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
SMILESCCN(C(=O)CCS(C)=O)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C15H18FN3O2S2/c1-4-19(13(20)5-6-23(3)21)15-10(2)18-14(22-15)11-7-12(16)9-17-8-11/h7-9H,4-6H2,1-3H3
InChIKeyIYRDXSSGYSXTFS-UHFFFAOYSA-N
XLogP2.77
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The IUPAC name of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide (CID 59580834) is N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide.
What is the SMILES notation for N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The canonical SMILES for N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide is CCN(C(=O)CCS(C)=O)c1sc(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The InChIKey is IYRDXSSGYSXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S2/c1-4-19(13(20)5-6-23(3)21)15-10(2)18-14(22-15)11-7-12(16)9-17-8-11/h7-9H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).