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

C15H12N4O2S — CID 135334146

IUPAC7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESCC1CN(c2ncnc3sc(C(=O)O)nc23)c2ccccc21
InChIInChI=1S/C15H12N4O2S/c1-8-6-19(10-5-3-2-4-9(8)10)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyHPLDTFHXQBWISH-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.04
Rot. Bonds2

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

7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (PubChem CID 135334146) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
PubChem CID135334146
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid
SMILESCC1CN(c2ncnc3sc(C(=O)O)nc23)c2ccccc21
InChIInChI=1S/C15H12N4O2S/c1-8-6-19(10-5-3-2-4-9(8)10)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKeyHPLDTFHXQBWISH-UHFFFAOYSA-N
XLogP3.04
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid (CID 135334146) is 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is CC1CN(c2ncnc3sc(C(=O)O)nc23)c2ccccc21.
What is the InChIKey of 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
The InChIKey is HPLDTFHXQBWISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-8-6-19(10-5-3-2-4-9(8)10)12-11-13(17-7-16-12)22-14(18-11)15(20)21/h2-5,7-8H,6H2,1H3,(H,20,21).
What are the key properties of 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid?
7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 135334146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).