2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

C9H8N2O3S — CID 13253375

IUPAC2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1cn2c(=O)c(C(=O)O)cnc2s1
InChIInChI=1S/C9H8N2O3S/c1-2-5-4-11-7(12)6(8(13)14)3-10-9(11)15-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyIKTUDWFRJKYMGJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.02
Rot. Bonds2

About 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 13253375) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID13253375
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1cn2c(=O)c(C(=O)O)cnc2s1
InChIInChI=1S/C9H8N2O3S/c1-2-5-4-11-7(12)6(8(13)14)3-10-9(11)15-5/h3-4H,2H2,1H3,(H,13,14)
InChIKeyIKTUDWFRJKYMGJ-UHFFFAOYSA-N
XLogP1.02
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-oxo-5H-(1,3)thiazolo(3,2-a)pyrimidine-6-carboxylic acid
CID 918861
2,3-Dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253376
2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 70093181
3-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126649732
2-Methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 126650140
2-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 140991156
2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6954405
3-Ethyl-2-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253372
5-Oxo-3-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253373
2-Ethyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253377
2,3-Diethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253378
3-Ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 13253379

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 13253375) is 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CCc1cn2c(=O)c(C(=O)O)cnc2s1.
What is the InChIKey of 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is IKTUDWFRJKYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-5-4-11-7(12)6(8(13)14)3-10-9(11)15-5/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13253375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).