2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

C10H12N2O2S — CID 70093181

IUPAC2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)C1=CN2CC(C(=O)O)=CN=C2S1
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-5-12-4-7(9(13)14)3-11-10(12)15-8/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyLOFYZSINUXJZDO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.87
Rot. Bonds2

About 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (PubChem CID 70093181) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
PubChem CID70093181
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
SMILESCC(C)C1=CN2CC(C(=O)O)=CN=C2S1
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-5-12-4-7(9(13)14)3-11-10(12)15-8/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyLOFYZSINUXJZDO-UHFFFAOYSA-N
XLogP1.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid (CID 70093181) is 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is CC(C)C1=CN2CC(C(=O)O)=CN=C2S1.
What is the InChIKey of 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is LOFYZSINUXJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(2)8-5-12-4-7(9(13)14)3-11-10(12)15-8/h3,5-6H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid?
2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70093181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).