2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid

C13H15N3O4S — CID 65218504

IUPAC2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnc2sccn2c1=O)C(=O)O
InChIInChI=1S/C13H15N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,19,20)
InChIKeyDIQUCIIBPLMDNC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.99
Rot. Bonds6

About 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid

2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218504) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218504
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cnc2sccn2c1=O)C(=O)O
InChIInChI=1S/C13H15N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,19,20)
InChIKeyDIQUCIIBPLMDNC-UHFFFAOYSA-N
XLogP0.99
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid (CID 65218504) is 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cnc2sccn2c1=O)C(=O)O.
What is the InChIKey of 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is DIQUCIIBPLMDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-2-3-8(12(19)20)6-14-10(17)9-7-15-13-16(11(9)18)4-5-21-13/h4-5,7-8H,2-3,6H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid?
2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).