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

C15H18FN3OS2 — CID 59580461

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C15H18FN3OS2/c1-9(8-21-4)14(20)19(3)15-10(2)18-13(22-15)11-5-12(16)7-17-6-11/h5-7,9H,8H2,1-4H3
InChIKeyHWPARFMFRVKDRR-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.61
Rot. Bonds5

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide (PubChem CID 59580461) has the molecular formula C15H18FN3OS2 and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide
PubChem CID59580461
Molecular FormulaC15H18FN3OS2
Molecular Weight339.46 g/mol
Exact Mass339.09
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C15H18FN3OS2/c1-9(8-21-4)14(20)19(3)15-10(2)18-13(22-15)11-5-12(16)7-17-6-11/h5-7,9H,8H2,1-4H3
InChIKeyHWPARFMFRVKDRR-UHFFFAOYSA-N
XLogP3.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide (CID 59580461) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide is CSCC(C)C(=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,2-dimethyl-3-methylsulfanylpropanamide?
The InChIKey is HWPARFMFRVKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS2/c1-9(8-21-4)14(20)19(3)15-10(2)18-13(22-15)11-5-12(16)7-17-6-11/h5-7,9H,8H2,1-4H3.
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfanylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 3.61, 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,2-dimethyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).