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

C13H13N3O4S — CID 43355802

IUPAC1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H13N3O4S/c17-10(15-3-1-2-8(7-15)12(19)20)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,1-3,7H2,(H,19,20)
InChIKeyCBCBVEIFPDCGRW-UHFFFAOYSA-N
MW307.33 g/mol
LogP0.69
Rot. Bonds2

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

1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 43355802) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
PubChem CID43355802
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H13N3O4S/c17-10(15-3-1-2-8(7-15)12(19)20)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,1-3,7H2,(H,19,20)
InChIKeyCBCBVEIFPDCGRW-UHFFFAOYSA-N
XLogP0.69
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 3442391
Ethyl 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 3592000
Ethyl 1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 24128145
1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43170445
1-(5-Oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 43355858
6-[3-(Hydroxymethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43422103
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid
CID 43440791
5-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 64059898
2-[[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]pentanoic acid
CID 65218504
2-[1-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidin-3-yl]acetic acid
CID 65946818
(3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 78925331
(3S)-1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81121104

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (CID 43355802) is 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cnc3sccn3c2=O)C1.
What is the InChIKey of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is CBCBVEIFPDCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-10(15-3-1-2-8(7-15)12(19)20)9-6-14-13-16(11(9)18)4-5-21-13/h4-6,8H,1-3,7H2,(H,19,20).
What are the key properties of 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid?
1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43355802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).