N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H21FN6OS — CID 174192843

About N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 174192843) has the molecular formula C15H21FN6OS and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 174192843
• Molecular Formula: C15H21FN6OS
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.15
• IUPAC Name: N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCN[C@@H](CC3N=CC(F)=CN3)C2)s1
• InChI: InChI=1S/C15H21FN6OS/c1-10(23)21-15-20-7-13(24-15)9-22-3-2-17-12(8-22)4-14-18-5-11(16)6-19-14/h5-7,12,14,17-18H,2-4,8-9H2,1H3,(H,20,21,23)/t12-,14?/m0/s1
• InChIKey: ZETVDORSEJGXJR-NBFOIZRFSA-N
• XLogP: 1.08
• TPSA: 81.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 174192843) is N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCN[C@@H](CC3N=CC(F)=CN3)C2)s1.

What is the InChIKey of N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZETVDORSEJGXJR-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H21FN6OS/c1-10(23)21-15-20-7-13(24-15)9-22-3-2-17-12(8-22)4-14-18-5-11(16)6-19-14/h5-7,12,14,17-18H,2-4,8-9H2,1H3,(H,20,21,23)/t12-,14?/m0/s1.

What are the key properties of N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 174192843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).