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

C12H15N3O3S — CID 55005743

IUPAC4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H15N3O3S/c1-14(4-2-3-11(17)18)8-9-7-10(16)15-5-6-19-12(15)13-9/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyRTFLNEBVZKBPBO-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.05
Rot. Bonds6

About 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid

4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid (PubChem CID 55005743) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid
PubChem CID55005743
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C12H15N3O3S/c1-14(4-2-3-11(17)18)8-9-7-10(16)15-5-6-19-12(15)13-9/h5-7H,2-4,8H2,1H3,(H,17,18)
InChIKeyRTFLNEBVZKBPBO-UHFFFAOYSA-N
XLogP1.05
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic 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 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid (CID 55005743) is 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid is CN(CCCC(=O)O)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid?
The InChIKey is RTFLNEBVZKBPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-14(4-2-3-11(17)18)8-9-7-10(16)15-5-6-19-12(15)13-9/h5-7H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid?
4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid has a molecular weight of 281.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 55005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).