4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

C11H11N3O4S — CID 43355042

IUPAC4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c15-8(16)2-1-3-12-9(17)7-6-13-11-14(10(7)18)4-5-19-11/h4-6H,1-3H2,(H,12,17)(H,15,16)
InChIKeyKGMOFUFDJGBCFQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.35
Rot. Bonds5

About 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid

4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43355042) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43355042
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H11N3O4S/c15-8(16)2-1-3-12-9(17)7-6-13-11-14(10(7)18)4-5-19-11/h4-6H,1-3H2,(H,12,17)(H,15,16)
InChIKeyKGMOFUFDJGBCFQ-UHFFFAOYSA-N
XLogP0.35
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7-keto-N-[3-(2-ketopyrrolidino)propyl]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853332
N-butyl-7-hydroxy-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853287
3-Fluoro-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258889
N-butyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248280
3-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43170391
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43170445
4-[(5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43170760
6-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 43352876
4-Methylsulfanyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43353415
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 43354440
3-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43354782
3-[(5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43354839

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid (CID 43355042) is 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is KGMOFUFDJGBCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-8(16)2-1-3-12-9(17)7-6-13-11-14(10(7)18)4-5-19-11/h4-6H,1-3H2,(H,12,17)(H,15,16).
What are the key properties of 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid?
4-[(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, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43355042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).