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

C14H9FN4O2S — CID 135334012

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C14H9FN4O2S/c15-8-1-2-9-7(5-8)3-4-19(9)11-10-12(17-6-16-11)22-13(18-10)14(20)21/h1-2,5-6H,3-4H2,(H,20,21)
InChIKeyYQAKLWALPNFWIP-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.62
Rot. Bonds2

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

7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (PubChem CID 135334012) has the molecular formula C14H9FN4O2S and a molecular weight of 316.32 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
PubChem CID135334012
Molecular FormulaC14H9FN4O2S
Molecular Weight316.32 g/mol
Exact Mass316.04
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C14H9FN4O2S/c15-8-1-2-9-7(5-8)3-4-19(9)11-10-12(17-6-16-11)22-13(18-10)14(20)21/h1-2,5-6H,3-4H2,(H,20,21)
InChIKeyYQAKLWALPNFWIP-UHFFFAOYSA-N
XLogP2.62
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (CID 135334012) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is O=C(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is YQAKLWALPNFWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2S/c15-8-1-2-9-7(5-8)3-4-19(9)11-10-12(17-6-16-11)22-13(18-10)14(20)21/h1-2,5-6H,3-4H2,(H,20,21).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135334012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).