7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid

C7H4N2O3S — CID 3335218

IUPAC7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sccn12
InChIInChI=1S/C7H4N2O3S/c10-5-3-4(6(11)12)9-1-2-13-7(9)8-5/h1-3H,(H,11,12)
InChIKeyJNYBSNXHAWFFFZ-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.45
Rot. Bonds1

About 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid

7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid (PubChem CID 3335218) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
PubChem CID3335218
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cc(=O)nc2sccn12
InChIInChI=1S/C7H4N2O3S/c10-5-3-4(6(11)12)9-1-2-13-7(9)8-5/h1-3H,(H,11,12)
InChIKeyJNYBSNXHAWFFFZ-UHFFFAOYSA-N
XLogP0.45
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 77095874
5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97270662
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10752329
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
5-aminoimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 83876178
7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157014856
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 74248399
N-(2-methylsulfanyl-3-pyridinyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157017479
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 91768845
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561

Frequently Asked Questions

What is the IUPAC name of 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid (CID 3335218) is 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid is O=C(O)c1cc(=O)nc2sccn12.
What is the InChIKey of 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid?
The InChIKey is JNYBSNXHAWFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-5-3-4(6(11)12)9-1-2-13-7(9)8-5/h1-3H,(H,11,12).
What are the key properties of 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid?
7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid has a molecular weight of 196.19 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 3335218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).