3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid

C14H19N3O3S — CID 60834789

IUPAC3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)16(5-4-12(19)20)9-10-8-11(18)17-6-7-21-13(17)15-10/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyBUCWITWTOUEFHE-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.83
Rot. Bonds5

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

3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (PubChem CID 60834789) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
PubChem CID60834789
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H19N3O3S/c1-14(2,3)16(5-4-12(19)20)9-10-8-11(18)17-6-7-21-13(17)15-10/h6-8H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyBUCWITWTOUEFHE-UHFFFAOYSA-N
XLogP1.83
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic 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 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid (CID 60834789) is 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is CC(C)(C)N(CCC(=O)O)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
The InChIKey is BUCWITWTOUEFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(2,3)16(5-4-12(19)20)9-10-8-11(18)17-6-7-21-13(17)15-10/h6-8H,4-5,9H2,1-3H3,(H,19,20).
What are the key properties of 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid?
3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid has a molecular weight of 309.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60834789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).