1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid

C13H15N3O3S — CID 43441480

IUPAC1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H15N3O3S/c17-11-7-10(14-13-16(11)5-6-20-13)8-15-3-1-9(2-4-15)12(18)19/h5-7,9H,1-4,8H2,(H,18,19)
InChIKeyVUGHFKMDKMMFSX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.05
Rot. Bonds3

About 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid

1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 43441480) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid
PubChem CID43441480
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C13H15N3O3S/c17-11-7-10(14-13-16(11)5-6-20-13)8-15-3-1-9(2-4-15)12(18)19/h5-7,9H,1-4,8H2,(H,18,19)
InChIKeyVUGHFKMDKMMFSX-UHFFFAOYSA-N
XLogP1.05
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 2419350
1-(5-Methyl-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122176206
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8741653
Methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8741654
Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8931144
Ethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 8931145
1-[(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxylic acid
CID 43440791
1-[(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid
CID 43441506
1-[(5-Oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid
CID 43441594
Ethyl 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylate
CID 46800750
N,N-diethyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 51100005
4-[Methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]butanoic acid
CID 55005743

Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid (CID 43441480) is 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is VUGHFKMDKMMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11-7-10(14-13-16(11)5-6-20-13)8-15-3-1-9(2-4-15)12(18)19/h5-7,9H,1-4,8H2,(H,18,19).
What are the key properties of 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid?
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.05, 3 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]pyrimidin-7-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).