5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid

C11H13N3O3S — CID 114203132

IUPAC5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
SMILESCc1nsc2ncn(CCCCC(=O)O)c(=O)c12
InChIInChI=1S/C11H13N3O3S/c1-7-9-10(18-13-7)12-6-14(11(9)17)5-3-2-4-8(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyHKXAWPYMDWSRLI-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.42
Rot. Bonds5

About 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid

5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid (PubChem CID 114203132) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
PubChem CID114203132
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid
SMILESCc1nsc2ncn(CCCCC(=O)O)c(=O)c12
InChIInChI=1S/C11H13N3O3S/c1-7-9-10(18-13-7)12-6-14(11(9)17)5-3-2-4-8(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyHKXAWPYMDWSRLI-UHFFFAOYSA-N
XLogP1.42
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxyethyl)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 130481752
3-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 139013406
3-methyl-5-[(2-methylpyrimidin-4-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166298138
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
4-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897267
4-[5-(furan-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28897471
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
3-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]propanoic acid
CID 39164695
3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 136542696
6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19245001
5-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 100684487
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid?
The IUPAC name of 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid (CID 114203132) is 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid?
The canonical SMILES for 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid is Cc1nsc2ncn(CCCCC(=O)O)c(=O)c12.
What is the InChIKey of 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid?
The InChIKey is HKXAWPYMDWSRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-9-10(18-13-7)12-6-14(11(9)17)5-3-2-4-8(15)16/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid?
5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid has a molecular weight of 267.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-5-yl)pentanoic acid is sourced from PubChem (CID 114203132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).