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

C16H20FN3OS2 — CID 59580481

IUPACN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide
SMILESCCN(C(=O)CC(C)SC)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H20FN3OS2/c1-5-20(14(21)6-10(2)22-4)16-11(3)19-15(23-16)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3
InChIKeyWKGNNEVIVMGWLI-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.15
Rot. Bonds6

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

N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide (PubChem CID 59580481) has the molecular formula C16H20FN3OS2 and a molecular weight of 353.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide
PubChem CID59580481
Molecular FormulaC16H20FN3OS2
Molecular Weight353.49 g/mol
Exact Mass353.10
IUPAC NameN-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide
SMILESCCN(C(=O)CC(C)SC)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H20FN3OS2/c1-5-20(14(21)6-10(2)22-4)16-11(3)19-15(23-16)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3
InChIKeyWKGNNEVIVMGWLI-UHFFFAOYSA-N
XLogP4.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.15
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-methylsulfanylbutanamide?
The IUPAC name of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide (CID 59580481) is N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide.
What is the SMILES notation for N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide?
The canonical SMILES for N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide is CCN(C(=O)CC(C)SC)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-methylsulfanylbutanamide?
The InChIKey is WKGNNEVIVMGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS2/c1-5-20(14(21)6-10(2)22-4)16-11(3)19-15(23-16)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide?
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylbutanamide has a molecular weight of 353.49 g/mol, XLogP of 4.15, 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-methylsulfanylbutanamide is sourced from PubChem (CID 59580481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).