2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid

C14H17N3O3S — CID 62688933

IUPAC2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2cc(=O)n3ccsc3n2)C1
InChIInChI=1S/C14H17N3O3S/c18-12-7-11(15-14-17(12)4-5-21-14)9-16-3-1-2-10(8-16)6-13(19)20/h4-5,7,10H,1-3,6,8-9H2,(H,19,20)
InChIKeyBKXIQWGDMQJXJV-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid

2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid (PubChem CID 62688933) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid
PubChem CID62688933
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2cc(=O)n3ccsc3n2)C1
InChIInChI=1S/C14H17N3O3S/c18-12-7-11(15-14-17(12)4-5-21-14)9-16-3-1-2-10(8-16)6-13(19)20/h4-5,7,10H,1-3,6,8-9H2,(H,19,20)
InChIKeyBKXIQWGDMQJXJV-UHFFFAOYSA-N
XLogP1.44
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid (CID 62688933) is 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(Cc2cc(=O)n3ccsc3n2)C1.
What is the InChIKey of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is BKXIQWGDMQJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12-7-11(15-14-17(12)4-5-21-14)9-16-3-1-2-10(8-16)6-13(19)20/h4-5,7,10H,1-3,6,8-9H2,(H,19,20).
What are the key properties of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 307.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62688933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).