2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol

C16H15FN4OS — CID 135334213

IUPAC2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C16H15FN4OS/c1-16(2,22)15-20-12-13(18-8-19-14(12)23-15)21-6-5-9-7-10(17)3-4-11(9)21/h3-4,7-8,22H,5-6H2,1-2H3
InChIKeyWVZVGRIXLAFRKJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.15
Rot. Bonds2

About 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol

2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol (PubChem CID 135334213) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol
PubChem CID135334213
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C16H15FN4OS/c1-16(2,22)15-20-12-13(18-8-19-14(12)23-15)21-6-5-9-7-10(17)3-4-11(9)21/h3-4,7-8,22H,5-6H2,1-2H3
InChIKeyWVZVGRIXLAFRKJ-UHFFFAOYSA-N
XLogP3.15
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol (CID 135334213) is 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol is CC(C)(O)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol?
The InChIKey is WVZVGRIXLAFRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-16(2,22)15-20-12-13(18-8-19-14(12)23-15)21-6-5-9-7-10(17)3-4-11(9)21/h3-4,7-8,22H,5-6H2,1-2H3.
What are the key properties of 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol?
2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol has a molecular weight of 330.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 135334213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).