2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid

C14H17N3O3S — CID 61370319

IUPAC2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCc1csc2nc(CN3CCCC3CC(=O)O)cc(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(5-12(18)17(9)14)7-16-4-2-3-11(16)6-13(19)20/h5,8,11H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyHJSSJULJXKHDFE-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.50
Rot. Bonds4

About 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370319) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370319
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESCc1csc2nc(CN3CCCC3CC(=O)O)cc(=O)n12
InChIInChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(5-12(18)17(9)14)7-16-4-2-3-11(16)6-13(19)20/h5,8,11H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyHJSSJULJXKHDFE-UHFFFAOYSA-N
XLogP1.50
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61370319) is 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid is Cc1csc2nc(CN3CCCC3CC(=O)O)cc(=O)n12.
What is the InChIKey of 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is HJSSJULJXKHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-8-21-14-15-10(5-12(18)17(9)14)7-16-4-2-3-11(16)6-13(19)20/h5,8,11H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 307.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).