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

C14H11FN4OS — CID 135390310

IUPAC[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
SMILESOCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C14H11FN4OS/c15-9-1-2-10-8(5-9)3-4-19(10)13-12-14(17-7-16-13)21-11(6-20)18-12/h1-2,5,7,20H,3-4,6H2
InChIKeyKHOCURMJUHBXRB-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.41
Rot. Bonds2

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

[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol (PubChem CID 135390310) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
PubChem CID135390310
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
SMILESOCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C14H11FN4OS/c15-9-1-2-10-8(5-9)3-4-19(10)13-12-14(17-7-16-13)21-11(6-20)18-12/h1-2,5,7,20H,3-4,6H2
InChIKeyKHOCURMJUHBXRB-UHFFFAOYSA-N
XLogP2.41
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.41
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]pyrimidin-2-yl]methanol?
The IUPAC name of [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol (CID 135390310) is [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol is OCc1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
The InChIKey is KHOCURMJUHBXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-9-1-2-10-8(5-9)3-4-19(10)13-12-14(17-7-16-13)21-11(6-20)18-12/h1-2,5,7,20H,3-4,6H2.
What are the key properties of [7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol?
[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol has a molecular weight of 302.33 g/mol, XLogP of 2.41, 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]pyrimidin-2-yl]methanol is sourced from PubChem (CID 135390310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).