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

C12H15N3O4S — CID 62032846

IUPAC5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H15N3O4S/c16-9(17)3-1-2-4-13-10(18)8-7-14-12-15(11(8)19)5-6-20-12/h7H,1-6H2,(H,13,18)(H,16,17)
InChIKeyBPGVFAJQYHKPPC-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.33
Rot. Bonds6

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

5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (PubChem CID 62032846) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
PubChem CID62032846
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H15N3O4S/c16-9(17)3-1-2-4-13-10(18)8-7-14-12-15(11(8)19)5-6-20-12/h7H,1-6H2,(H,13,18)(H,16,17)
InChIKeyBPGVFAJQYHKPPC-UHFFFAOYSA-N
XLogP0.33
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.33
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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Frequently Asked Questions

What is the IUPAC name of 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid (CID 62032846) is 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
The InChIKey is BPGVFAJQYHKPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c16-9(17)3-1-2-4-13-10(18)8-7-14-12-15(11(8)19)5-6-20-12/h7H,1-6H2,(H,13,18)(H,16,17).
What are the key properties of 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid?
5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid has a molecular weight of 297.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62032846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).