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

C10H11N3O3S — CID 43467107

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
SMILESCC(NCc1cc(=O)n2ccsc2n1)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-6(9(15)16)11-5-7-4-8(14)13-2-3-17-10(13)12-7/h2-4,6,11H,5H2,1H3,(H,15,16)
InChIKeyNGRJHYUGIJXYAH-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.32
Rot. Bonds4

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

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid (PubChem CID 43467107) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
PubChem CID43467107
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
SMILESCC(NCc1cc(=O)n2ccsc2n1)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-6(9(15)16)11-5-7-4-8(14)13-2-3-17-10(13)12-7/h2-4,6,11H,5H2,1H3,(H,15,16)
InChIKeyNGRJHYUGIJXYAH-UHFFFAOYSA-N
XLogP0.32
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 79791587
2-[2-(Ethylsulfanyl)-6-oxo-3,3-thiazolidine-4-carboxylic acid
CID 135459416
[2-(Methylamino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8772037
N-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetamide
CID 8772038
Ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8906529
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906530
Methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9049543
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
CID 9049544
2-Amino-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]propanoic acid
CID 43385315
2-[Methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442387
2-[Methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442434
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43465970

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid (CID 43467107) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid is CC(NCc1cc(=O)n2ccsc2n1)C(=O)O.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid?
The InChIKey is NGRJHYUGIJXYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6(9(15)16)11-5-7-4-8(14)13-2-3-17-10(13)12-7/h2-4,6,11H,5H2,1H3,(H,15,16).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid has a molecular weight of 253.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid is sourced from PubChem (CID 43467107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).