7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

C6H3N3O3S — CID 135573891

IUPAC7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2c(=O)[nH]cnc12
InChIInChI=1S/C6H3N3O3S/c10-5-4-2(7-1-8-5)3(6(11)12)9-13-4/h1H,(H,11,12)(H,7,8,10)
InChIKeyPABSWCJJJBGCMJ-UHFFFAOYSA-N
MW197.17 g/mol
LogP0.08
Rot. Bonds1

About 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 135573891) has the molecular formula C6H3N3O3S and a molecular weight of 197.17 g/mol. Its IUPAC name is 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID135573891
Molecular FormulaC6H3N3O3S
Molecular Weight197.17 g/mol
Exact Mass196.99
IUPAC Name7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2c(=O)[nH]cnc12
InChIInChI=1S/C6H3N3O3S/c10-5-4-2(7-1-8-5)3(6(11)12)9-13-4/h1H,(H,11,12)(H,7,8,10)
InChIKeyPABSWCJJJBGCMJ-UHFFFAOYSA-N
XLogP0.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-oxo-6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate
CID 135450649
7-oxo-6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 135531842
4-Amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743412
tert-butyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate
CID 137403994
tert-butyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate;ethane
CID 142512792
4-Amino-3-[(ethylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 50743413
6-Methyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 121199636
6-Ethyl-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 121199637
7-Oxo-6-propyl-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 121199638
6-(Cyclopropylmethyl)-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 121199639
6-(2-Methoxyethyl)-7-oxo-6,7-dihydroisothiazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 121199640
Ethyl 7-oxo-6,7-dihydroisothiazolo[4,5-d]pyrimidine-3-carboxylate
CID 135469010

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 135573891) is 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is O=C(O)c1nsc2c(=O)[nH]cnc12.
What is the InChIKey of 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is PABSWCJJJBGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3S/c10-5-4-2(7-1-8-5)3(6(11)12)9-13-4/h1H,(H,11,12)(H,7,8,10).
What are the key properties of 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 197.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 135573891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).