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

C14H17N3O3S — CID 61010423

IUPAC2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c18-12-7-10(15-14-17(12)5-6-21-14)9-16-4-2-1-3-11(16)8-13(19)20/h5-7,11H,1-4,8-9H2,(H,19,20)
InChIKeyOUXMIAVVRZZNBB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.59
Rot. Bonds4

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

2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 61010423) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID61010423
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-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H17N3O3S/c18-12-7-10(15-14-17(12)5-6-21-14)9-16-4-2-1-3-11(16)8-13(19)20/h5-7,11H,1-4,8-9H2,(H,19,20)
InChIKeyOUXMIAVVRZZNBB-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid (CID 61010423) is 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is OUXMIAVVRZZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12-7-10(15-14-17(12)5-6-21-14)9-16-4-2-1-3-11(16)8-13(19)20/h5-7,11H,1-4,8-9H2,(H,19,20).
What are the key properties of 2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 307.38 g/mol, XLogP of 1.59, 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-2-yl]acetic acid is sourced from PubChem (CID 61010423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).