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

C13H15N3O4S — CID 43352876

IUPAC6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c17-10(18)4-2-1-3-5-14-11(19)9-8-15-13-16(12(9)20)6-7-21-13/h6-8H,1-5H2,(H,14,19)(H,17,18)
InChIKeyFJXWQPIPSMKXIR-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.13
Rot. Bonds7

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

6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (PubChem CID 43352876) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
PubChem CID43352876
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O4S/c17-10(18)4-2-1-3-5-14-11(19)9-8-15-13-16(12(9)20)6-7-21-13/h6-8H,1-5H2,(H,14,19)(H,17,18)
InChIKeyFJXWQPIPSMKXIR-UHFFFAOYSA-N
XLogP1.13
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.13
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

Methyl 6-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoate
CID 3587704
6-[(5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 43170037
4-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 43353259
3-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43354782
4-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43355042
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 43355983
3-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 43356427
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360221
3-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]butanoic acid
CID 43360860
2-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 43469687
2-[(5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 43469762
2-Methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 43618696

Frequently Asked Questions

What is the IUPAC name of 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid (CID 43352876) is 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid?
The InChIKey is FJXWQPIPSMKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-10(18)4-2-1-3-5-14-11(19)9-8-15-13-16(12(9)20)6-7-21-13/h6-8H,1-5H2,(H,14,19)(H,17,18).
What are the key properties of 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid?
6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).