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

C6H3N3O3S — CID 135531842

IUPAC7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2c(=O)[nH]cnc12
InChIInChI=1S/C6H3N3O3S/c10-5-3-2(7-1-8-5)4(6(11)12)13-9-3/h1H,(H,11,12)(H,7,8,10)
InChIKeyHPXJZTRAXKALJK-UHFFFAOYSA-N
MW197.17 g/mol
LogP0.08
Rot. Bonds1

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

7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 135531842) has the molecular formula C6H3N3O3S and a molecular weight of 197.17 g/mol. Its IUPAC name is 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID135531842
Molecular FormulaC6H3N3O3S
Molecular Weight197.17 g/mol
Exact Mass196.99
IUPAC Name7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1snc2c(=O)[nH]cnc12
InChIInChI=1S/C6H3N3O3S/c10-5-3-2(7-1-8-5)4(6(11)12)13-9-3/h1H,(H,11,12)(H,7,8,10)
InChIKeyHPXJZTRAXKALJK-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
4-Amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743412
4-Amino-3-[(cyclopropylmethyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 50743432
4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703
6,7-Dihydro-7-oxo-isothiazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 135573891
tert-butyl 7-oxo-6H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylate
CID 137403994
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 860195
4-Amino-3-[(ethylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 50743413
4-Amino-3-(propylcarbamoyl)isothiazole-5-carboxylic acid
CID 50743414
4-Amino-3-(butylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743430
4-Amino-3-(isobutylcarbamoyl)isothiazole-5-carboxylic acid
CID 50743431
4-Amino-3-(isopropylcarbamoyl)isothiazole-5-carboxylic acid
CID 106523221

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 135531842) is 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is O=C(O)c1snc2c(=O)[nH]cnc12.
What is the InChIKey of 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is HPXJZTRAXKALJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3S/c10-5-3-2(7-1-8-5)4(6(11)12)13-9-3/h1H,(H,11,12)(H,7,8,10).
What are the key properties of 7-oxo-6H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
7-oxo-6H-[1,2]thiazolo[4,3-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[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 135531842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).