7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol

C20H21FN4OS2 — CID 166922666

IUPAC7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol
SMILESCCCn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1
InChIInChI=1S/C20H21FN4OS2/c1-2-7-25-10-12-8-13(18(26)16(21)17(12)24-25)19-23-20-15(28-19)9-14(27-20)11-3-5-22-6-4-11/h8-11,22,26H,2-7H2,1H3
InChIKeyYFDONFJKABZWPK-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.10
Rot. Bonds4

About 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol

7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol (PubChem CID 166922666) has the molecular formula C20H21FN4OS2 and a molecular weight of 416.55 g/mol. Its IUPAC name is 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol.

Molecular Properties

Compound Name7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol
PubChem CID166922666
Molecular FormulaC20H21FN4OS2
Molecular Weight416.55 g/mol
Exact Mass416.11
IUPAC Name7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol
SMILESCCCn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1
InChIInChI=1S/C20H21FN4OS2/c1-2-7-25-10-12-8-13(18(26)16(21)17(12)24-25)19-23-20-15(28-19)9-14(27-20)11-3-5-22-6-4-11/h8-11,22,26H,2-7H2,1H3
InChIKeyYFDONFJKABZWPK-UHFFFAOYSA-N
XLogP5.10
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol?
The IUPAC name of 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol (CID 166922666) is 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol.
What is the SMILES notation for 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol?
The canonical SMILES for 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol is CCCn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1.
What is the InChIKey of 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol?
The InChIKey is YFDONFJKABZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS2/c1-2-7-25-10-12-8-13(18(26)16(21)17(12)24-25)19-23-20-15(28-19)9-14(27-20)11-3-5-22-6-4-11/h8-11,22,26H,2-7H2,1H3.
What are the key properties of 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol?
7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol has a molecular weight of 416.55 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)-2-propylindazol-6-ol is sourced from PubChem (CID 166922666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).