7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C18H16FN5O2S — CID 135390236

IUPAC7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C18H16FN5O2S/c19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12/h1-2,7,9,12H,3-6,8H2,(H,22,25)
InChIKeyOZPLTCVXULNCSS-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.44
Rot. Bonds3

About 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390236) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390236
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C18H16FN5O2S/c19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12/h1-2,7,9,12H,3-6,8H2,(H,22,25)
InChIKeyOZPLTCVXULNCSS-UHFFFAOYSA-N
XLogP2.44
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390236) is 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is OZPLTCVXULNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12/h1-2,7,9,12H,3-6,8H2,(H,22,25).
What are the key properties of 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).