7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

C8H8N4O2S — CID 67969865

IUPAC7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCNc1ncnc2c(C(=O)O)snc12
InChIInChI=1S/C8H8N4O2S/c1-2-9-7-5-4(10-3-11-7)6(8(13)14)15-12-5/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyVBKKHMPWCYFBQD-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.22
Rot. Bonds3

About 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid

7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 67969865) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID67969865
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCNc1ncnc2c(C(=O)O)snc12
InChIInChI=1S/C8H8N4O2S/c1-2-9-7-5-4(10-3-11-7)6(8(13)14)15-12-5/h3H,2H2,1H3,(H,13,14)(H,9,10,11)
InChIKeyVBKKHMPWCYFBQD-UHFFFAOYSA-N
XLogP1.22
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 67969865) is 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is CCNc1ncnc2c(C(=O)O)snc12.
What is the InChIKey of 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is VBKKHMPWCYFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-2-9-7-5-4(10-3-11-7)6(8(13)14)15-12-5/h3H,2H2,1H3,(H,13,14)(H,9,10,11).
What are the key properties of 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid?
7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 224.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67969865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).