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

C14H13FN4OS2 — CID 59580442

IUPACN-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C#N
InChIInChI=1S/C14H13FN4OS2/c1-19(12(20)3-4-21-2)14-11(6-16)18-13(22-14)9-5-10(15)8-17-7-9/h5,7-8H,3-4H2,1-2H3
InChIKeyMEEXZSJHFRMDLC-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.93
Rot. Bonds5

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

N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide (PubChem CID 59580442) has the molecular formula C14H13FN4OS2 and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
PubChem CID59580442
Molecular FormulaC14H13FN4OS2
Molecular Weight336.42 g/mol
Exact Mass336.05
IUPAC NameN-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C#N
InChIInChI=1S/C14H13FN4OS2/c1-19(12(20)3-4-21-2)14-11(6-16)18-13(22-14)9-5-10(15)8-17-7-9/h5,7-8H,3-4H2,1-2H3
InChIKeyMEEXZSJHFRMDLC-UHFFFAOYSA-N
XLogP2.93
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide (CID 59580442) is N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide is CSCCC(=O)N(C)c1sc(-c2cncc(F)c2)nc1C#N.
What is the InChIKey of N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
The InChIKey is MEEXZSJHFRMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS2/c1-19(12(20)3-4-21-2)14-11(6-16)18-13(22-14)9-5-10(15)8-17-7-9/h5,7-8H,3-4H2,1-2H3.
What are the key properties of N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide?
N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 336.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).