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

C12H13N3O4S — CID 43630446

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnc2sccn2c1=O)C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-2-3-8(11(18)19)14-9(16)7-6-13-12-15(10(7)17)4-5-20-12/h4-6,8H,2-3H2,1H3,(H,14,16)(H,18,19)
InChIKeyFWSQFMABBOLLMA-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.74
Rot. Bonds5

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

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 43630446) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
PubChem CID43630446
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnc2sccn2c1=O)C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-2-3-8(11(18)19)14-9(16)7-6-13-12-15(10(7)17)4-5-20-12/h4-6,8H,2-3H2,1H3,(H,14,16)(H,18,19)
InChIKeyFWSQFMABBOLLMA-UHFFFAOYSA-N
XLogP0.74
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoate
CID 10564762
3-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43170391
3-Methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43170409
2-Cyclopropyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43172542
6-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 43352876
4-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 43353259
4-Methyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 43353312
4-Methylsulfanyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43353415
4-Methylsulfanyl-2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43353470
3-Hydroxy-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43353674
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 43354440
4-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43355042

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 43630446) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cnc2sccn2c1=O)C(=O)O.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The InChIKey is FWSQFMABBOLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-2-3-8(11(18)19)14-9(16)7-6-13-12-15(10(7)17)4-5-20-12/h4-6,8H,2-3H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 295.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).