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

C23H22F3N5O2S2 — CID 23653869

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

N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 23653869) has the molecular formula C23H22F3N5O2S2 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 23653869
• Molecular Formula: C23H22F3N5O2S2
• Molecular Weight: 521.59 g/mol
• Exact Mass: 521.12
• IUPAC Name: N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide
• SMILES: COCc1nc(N(C[C@@H](N)Cc2ccc(C(F)(F)F)cc2)C(C)=O)sc1-c1nc2ccncc2s1
• InChI: InChI=1S/C23H22F3N5O2S2/c1-13(32)31(11-16(27)9-14-3-5-15(6-4-14)23(24,25)26)22-30-18(12-33-2)20(35-22)21-29-17-7-8-28-10-19(17)34-21/h3-8,10,16H,9,11-12,27H2,1-2H3/t16-/m0/s1
• InChIKey: ZUZVLJPMNPBXCB-INIZCTEOSA-N
• XLogP: 4.90
• TPSA: 94.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.59
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide (CID 23653869) is N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide is COCc1nc(N(C[C@@H](N)Cc2ccc(C(F)(F)F)cc2)C(C)=O)sc1-c1nc2ccncc2s1.

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

The InChIKey is ZUZVLJPMNPBXCB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22F3N5O2S2/c1-13(32)31(11-16(27)9-14-3-5-15(6-4-14)23(24,25)26)22-30-18(12-33-2)20(35-22)21-29-17-7-8-28-10-19(17)34-21/h3-8,10,16H,9,11-12,27H2,1-2H3/t16-/m0/s1.

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

N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 521.59 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-[4-(methoxymethyl)-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).