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

C13H15N3O3S — CID 60833871

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

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

2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 60833871) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID60833871
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCc1csc2nc(CN(CC(=O)O)C3CC3)cc(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-8-7-20-13-14-9(4-11(17)16(8)13)5-15(6-12(18)19)10-2-3-10/h4,7,10H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyPUTZXGPHKLOVMS-UHFFFAOYSA-N
XLogP1.11
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 60833871) is 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is Cc1csc2nc(CN(CC(=O)O)C3CC3)cc(=O)n12.
What is the InChIKey of 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is PUTZXGPHKLOVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-7-20-13-14-9(4-11(17)16(8)13)5-15(6-12(18)19)10-2-3-10/h4,7,10H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 60833871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).