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

C13H15N3O3S — CID 62696181

IUPAC2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESCc1csc2nc(CNC(C(=O)O)C3CC3)cc(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-7-6-20-13-15-9(4-10(17)16(7)13)5-14-11(12(18)19)8-2-3-8/h4,6,8,11,14H,2-3,5H2,1H3,(H,18,19)
InChIKeyDYTISIAMTKWPMS-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.02
Rot. Bonds5

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

2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (PubChem CID 62696181) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
PubChem CID62696181
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESCc1csc2nc(CNC(C(=O)O)C3CC3)cc(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-7-6-20-13-15-9(4-10(17)16(7)13)5-14-11(12(18)19)8-2-3-8/h4,6,8,11,14H,2-3,5H2,1H3,(H,18,19)
InChIKeyDYTISIAMTKWPMS-UHFFFAOYSA-N
XLogP1.02
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (CID 62696181) is 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is Cc1csc2nc(CNC(C(=O)O)C3CC3)cc(=O)n12.
What is the InChIKey of 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The InChIKey is DYTISIAMTKWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-6-20-13-15-9(4-10(17)16(7)13)5-14-11(12(18)19)8-2-3-8/h4,6,8,11,14H,2-3,5H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is sourced from PubChem (CID 62696181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).