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

C16H14N4O2S — CID 135390242

IUPACethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C16H14N4O2S/c1-2-22-16(21)15-19-12-13(17-9-18-14(12)23-15)20-8-7-10-5-3-4-6-11(10)20/h3-6,9H,2,7-8H2,1H3
InChIKeyBIZCVUSXEBHPQA-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.96
Rot. Bonds3

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

ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (PubChem CID 135390242) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
PubChem CID135390242
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Nameethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C16H14N4O2S/c1-2-22-16(21)15-19-12-13(17-9-18-14(12)23-15)20-8-7-10-5-3-4-6-11(10)20/h3-6,9H,2,7-8H2,1H3
InChIKeyBIZCVUSXEBHPQA-UHFFFAOYSA-N
XLogP2.96
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate (CID 135390242) is ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is CCOC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1.
What is the InChIKey of ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
The InChIKey is BIZCVUSXEBHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-2-22-16(21)15-19-12-13(17-9-18-14(12)23-15)20-8-7-10-5-3-4-6-11(10)20/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate?
ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate has a molecular weight of 326.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 135390242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).