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

C14H16FN3OS2 — CID 59580433

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C14H16FN3OS2/c1-9-14(18(2)12(19)4-5-20-3)21-13(17-9)10-6-11(15)8-16-7-10/h6-8H,4-5H2,1-3H3
InChIKeyVOCSOSWKBXBCQH-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.37
Rot. Bonds5

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 59580433) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID59580433
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C14H16FN3OS2/c1-9-14(18(2)12(19)4-5-20-3)21-13(17-9)10-6-11(15)8-16-7-10/h6-8H,4-5H2,1-3H3
InChIKeyVOCSOSWKBXBCQH-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.37
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)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide (CID 59580433) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is VOCSOSWKBXBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-9-14(18(2)12(19)4-5-20-3)21-13(17-9)10-6-11(15)8-16-7-10/h6-8H,4-5H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 3.37, 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)-4-methyl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).