3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C11H11N3O4S — CID 43360860

IUPAC3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-6(4-8(15)16)13-9(17)7-5-12-11-14(10(7)18)2-3-19-11/h2-3,5-6H,4H2,1H3,(H,13,17)(H,15,16)
InChIKeyKREODAYRUMTJQK-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.35
Rot. Bonds4

About 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43360860) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43360860
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c1-6(4-8(15)16)13-9(17)7-5-12-11-14(10(7)18)2-3-19-11/h2-3,5-6H,4H2,1H3,(H,13,17)(H,15,16)
InChIKeyKREODAYRUMTJQK-UHFFFAOYSA-N
XLogP0.35
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-(sec-butyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248282
N-(1-methylbutyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248299
N-(1-hydroxypropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43418578
N-(3-hydroxypropyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109983494
N-(1-hydroxybutan-2-yl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470423
N-(3-hydroxypropyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470627
7-hydroxy-5-oxo-N-propyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853286
7-hydroxy-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853288
7-hydroxy-N-(3-methoxypropyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853294
7-hydroxy-N-(3-hydroxypropyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135927483

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43360860) is 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is KREODAYRUMTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-6(4-8(15)16)13-9(17)7-5-12-11-14(10(7)18)2-3-19-11/h2-3,5-6H,4H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 281.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43360860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).