N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine

C24H24F3N5O2S2 — CID 91244254

About N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine

N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine (PubChem CID 91244254) has the molecular formula C24H24F3N5O2S2 and a molecular weight of 535.62 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine.

Molecular Properties

• Compound Name: N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine
• PubChem CID: 91244254
• Molecular Formula: C24H24F3N5O2S2
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.13
• IUPAC Name: N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine
• SMILES: CN1C[C@@H]1Cc1ccc(C(F)(F)F)cc1.COCc1nc(NC(C)=O)sc1-c1nc2ccncc2s1
• InChI: InChI=1S/C13H12N4O2S2.C11H12F3N/c1-7(18)15-13-17-9(6-19-2)11(21-13)12-16-8-3-4-14-5-10(8)20-12;1-15-7-10(15)6-8-2-4-9(5-3-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,17,18);2-5,10H,6-7H2,1H3/t;10-,15?/m.0/s1
• InChIKey: ZKNLMNOUDIUFTI-DPALEJNTSA-N
• XLogP: 5.48
• TPSA: 80.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine?

The IUPAC name of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine (CID 91244254) is N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine.

What is the SMILES notation for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine?

The canonical SMILES for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine is CN1C[C@@H]1Cc1ccc(C(F)(F)F)cc1.COCc1nc(NC(C)=O)sc1-c1nc2ccncc2s1.

What is the InChIKey of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine?

The InChIKey is ZKNLMNOUDIUFTI-DPALEJNTSA-N. The full InChI is InChI=1S/C13H12N4O2S2.C11H12F3N/c1-7(18)15-13-17-9(6-19-2)11(21-13)12-16-8-3-4-14-5-10(8)20-12;1-15-7-10(15)6-8-2-4-9(5-3-8)11(12,13)14/h3-5H,6H2,1-2H3,(H,15,17,18);2-5,10H,6-7H2,1H3/t;10-,15?/m.0/s1.

What are the key properties of N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine?

N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine has a molecular weight of 535.62 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide;(2S)-1-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]aziridine is sourced from PubChem (CID 91244254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).