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

C13H17N3O3S — CID 43632042

IUPAC2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2c(C)csc2n1)C(=O)O
InChIInChI=1S/C13H17N3O3S/c1-3-4-10(12(18)19)14-6-9-5-11(17)16-8(2)7-20-13(16)15-9/h5,7,10,14H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyVAMZUBZMFUGPEX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.41
Rot. Bonds6

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

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid (PubChem CID 43632042) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
PubChem CID43632042
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2c(C)csc2n1)C(=O)O
InChIInChI=1S/C13H17N3O3S/c1-3-4-10(12(18)19)14-6-9-5-11(17)16-8(2)7-20-13(16)15-9/h5,7,10,14H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyVAMZUBZMFUGPEX-UHFFFAOYSA-N
XLogP1.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carboxylic acid
CID 43441238
1-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441898
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43465970
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 43467041
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 43467107
3-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
CID 43468424
3-Methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
CID 43468484
4-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]butanoic acid
CID 43473586
2-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43619713
2-Methyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43619871
2-[(5-Oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43631569
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid
CID 43631798

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid (CID 43632042) is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid is CCCC(NCc1cc(=O)n2c(C)csc2n1)C(=O)O.
What is the InChIKey of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid?
The InChIKey is VAMZUBZMFUGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-4-10(12(18)19)14-6-9-5-11(17)16-8(2)7-20-13(16)15-9/h5,7,10,14H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid?
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid has a molecular weight of 295.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43632042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).