N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C20H19N5O2S2 — CID 42944493

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 42944493) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• PubChem CID: 42944493
• Molecular Formula: C20H19N5O2S2
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.10
• IUPAC Name: N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
• SMILES: O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1ccnc1
• InChI: InChI=1S/C20H19N5O2S2/c26-18(13-28-12-17-9-19(27)25-7-8-29-20(25)23-17)22-10-15-3-1-2-4-16(15)11-24-6-5-21-14-24/h1-9,14H,10-13H2,(H,22,26)
• InChIKey: XNZADEFOURLHOR-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 42944493) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is O=C(CSCc1cc(=O)n2ccsc2n1)NCc1ccccc1Cn1ccnc1.

What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

The InChIKey is XNZADEFOURLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c26-18(13-28-12-17-9-19(27)25-7-8-29-20(25)23-17)22-10-15-3-1-2-4-16(15)11-24-6-5-21-14-24/h1-9,14H,10-13H2,(H,22,26).

What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 42944493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).