2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid

C14H17N3O4S2 — CID 119205226

About 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid

2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid (PubChem CID 119205226) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid
• PubChem CID: 119205226
• Molecular Formula: C14H17N3O4S2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.07
• IUPAC Name: 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid
• SMILES: CCCN(CC(=O)O)C(=O)CSCc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C14H17N3O4S2/c1-2-3-16(7-13(20)21)12(19)9-22-8-10-6-11(18)17-4-5-23-14(17)15-10/h4-6H,2-3,7-9H2,1H3,(H,20,21)
• InChIKey: OMENLSZVRRYGGM-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 91.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid?

The IUPAC name of 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid (CID 119205226) is 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid.

What is the SMILES notation for 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid?

The canonical SMILES for 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)CSCc1cc(=O)n2ccsc2n1.

What is the InChIKey of 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid?

The InChIKey is OMENLSZVRRYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-2-3-16(7-13(20)21)12(19)9-22-8-10-6-11(18)17-4-5-23-14(17)15-10/h4-6H,2-3,7-9H2,1H3,(H,20,21).

What are the key properties of 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid?

2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid has a molecular weight of 355.44 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetyl]-propylamino]acetic acid is sourced from PubChem (CID 119205226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).