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

C10H11N3O3S — CID 43442387

IUPAC2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H11N3O3S/c1-12(6-9(15)16)5-7-4-8(14)13-2-3-17-10(13)11-7/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyWIGKBNDELUKOMV-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.27
Rot. Bonds4

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

2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 43442387) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID43442387
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C10H11N3O3S/c1-12(6-9(15)16)5-7-4-8(14)13-2-3-17-10(13)11-7/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyWIGKBNDELUKOMV-UHFFFAOYSA-N
XLogP0.27
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetic acid
CID 17604703
(3,4-Dihydro-6-methyl-2-methylthio-4-oxo-3-pyrimidinyl)acetic acid
CID 10059090
7-((Ethyl(2-hydroxyethyl)amino)methyl)-5h-thiazolo[3,2-a]pyrimidin-5-one
CID 43074730
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262461
3,3,3-Trifluoro-2-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]propanoic acid
CID 79791587
7-[(dimethylamino)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17376217
2-[(2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetic acid
CID 17604705
2-[4-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetic acid
CID 43397403
2-[Methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442434
2-[Methyl-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442681
2-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43465970
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 43466030

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 43442387) is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is CN(CC(=O)O)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is WIGKBNDELUKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-12(6-9(15)16)5-7-4-8(14)13-2-3-17-10(13)11-7/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 253.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43442387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).