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

C13H15N3O4S — CID 63069932

IUPAC2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-8(2)6-15(7-10(17)18)11(19)9-5-14-13-16(12(9)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyXHVNNYNCYCUKKE-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.94
Rot. Bonds5

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

2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 63069932) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID63069932
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c1-8(2)6-15(7-10(17)18)11(19)9-5-14-13-16(12(9)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyXHVNNYNCYCUKKE-UHFFFAOYSA-N
XLogP0.94
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 63069932) is 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is XHVNNYNCYCUKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(2)6-15(7-10(17)18)11(19)9-5-14-13-16(12(9)20)3-4-21-13/h3-5,8H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 309.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 63069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).