7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid

C14H10N4O2S — CID 135333947

IUPAC7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C14H10N4O2S/c19-14(20)13-17-10-11(15-7-16-12(10)21-13)18-6-5-8-3-1-2-4-9(8)18/h1-4,7H,5-6H2,(H,19,20)
InChIKeyXEQJZIFEXMFWOV-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.48
Rot. Bonds2

About 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid

7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (PubChem CID 135333947) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
PubChem CID135333947
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C14H10N4O2S/c19-14(20)13-17-10-11(15-7-16-12(10)21-13)18-6-5-8-3-1-2-4-9(8)18/h1-4,7H,5-6H2,(H,19,20)
InChIKeyXEQJZIFEXMFWOV-UHFFFAOYSA-N
XLogP2.48
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (CID 135333947) is 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is O=C(O)c1nc2c(N3CCc4ccccc43)ncnc2s1.
What is the InChIKey of 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is XEQJZIFEXMFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-14(20)13-17-10-11(15-7-16-12(10)21-13)18-6-5-8-3-1-2-4-9(8)18/h1-4,7H,5-6H2,(H,19,20).
What are the key properties of 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 298.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135333947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).