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

C17H18FN3OS2 — CID 118024063

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide (PubChem CID 118024063) has the molecular formula C17H18FN3OS2 and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide.

Molecular Properties

• Compound Name: N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
• PubChem CID: 118024063
• Molecular Formula: C17H18FN3OS2
• Molecular Weight: 363.48 g/mol
• Exact Mass: 363.09
• IUPAC Name: N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
• SMILES: C#CCN(C(=O)C(C)CSC)c1sc(-c2cncc(F)c2)nc1C
• InChI: InChI=1S/C17H18FN3OS2/c1-5-6-21(16(22)11(2)10-23-4)17-12(3)20-15(24-17)13-7-14(18)9-19-8-13/h1,7-9,11H,6,10H2,2-4H3
• InChIKey: IFKIRZUOHNMZLZ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 46.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.48
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide?

The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide (CID 118024063) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide.

What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide?

The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide is C#CCN(C(=O)C(C)CSC)c1sc(-c2cncc(F)c2)nc1C.

What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide?

The InChIKey is IFKIRZUOHNMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS2/c1-5-6-21(16(22)11(2)10-23-4)17-12(3)20-15(24-17)13-7-14(18)9-19-8-13/h1,7-9,11H,6,10H2,2-4H3.

What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide?

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 3.62, 6 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]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 118024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).