2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid

C13H15N3O4S — CID 120519588

IUPAC2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H15N3O4S/c1-3-4-15(6-10(17)18)11(19)9-5-14-13-16(12(9)20)8(2)7-21-13/h5,7H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyVTZYYEFWDNKKFR-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.00
Rot. Bonds5

About 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid

2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid (PubChem CID 120519588) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid
PubChem CID120519588
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnc2scc(C)n2c1=O
InChIInChI=1S/C13H15N3O4S/c1-3-4-15(6-10(17)18)11(19)9-5-14-13-16(12(9)20)8(2)7-21-13/h5,7H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyVTZYYEFWDNKKFR-UHFFFAOYSA-N
XLogP1.00
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 120517663
N,3-dimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469486
2-ethyl-2-[[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 120533378
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
2-methyl-5-[[methyl-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 120523011
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 110003943
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277736
3-methyl-N-(2-methylprop-2-enoxy)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471182
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519607
2-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)-propylamino]acetic acid
CID 120519573

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid (CID 120519588) is 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cnc2scc(C)n2c1=O.
What is the InChIKey of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid?
The InChIKey is VTZYYEFWDNKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-3-4-15(6-10(17)18)11(19)9-5-14-13-16(12(9)20)8(2)7-21-13/h5,7H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid?
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-propylamino]acetic acid has a molecular weight of 309.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 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]pyrimidine-6-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 120519588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).