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

C18H17FN4OS2 — CID 162433181

IUPAC7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol
SMILESCn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1
InChIInChI=1S/C18H17FN4OS2/c1-23-8-10-6-11(16(24)14(19)15(10)22-23)17-21-18-13(26-17)7-12(25-18)9-2-4-20-5-3-9/h6-9,20,24H,2-5H2,1H3
InChIKeyNTFJIZNYXJQLSF-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.22
Rot. Bonds2

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

7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol (PubChem CID 162433181) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol.

Molecular Properties

Compound Name7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol
PubChem CID162433181
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol
SMILESCn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1
InChIInChI=1S/C18H17FN4OS2/c1-23-8-10-6-11(16(24)14(19)15(10)22-23)17-21-18-13(26-17)7-12(25-18)9-2-4-20-5-3-9/h6-9,20,24H,2-5H2,1H3
InChIKeyNTFJIZNYXJQLSF-UHFFFAOYSA-N
XLogP4.22
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol?
The IUPAC name of 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol (CID 162433181) is 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol.
What is the SMILES notation for 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol?
The canonical SMILES for 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol is Cn1cc2cc(-c3nc4sc(C5CCNCC5)cc4s3)c(O)c(F)c2n1.
What is the InChIKey of 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol?
The InChIKey is NTFJIZNYXJQLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c1-23-8-10-6-11(16(24)14(19)15(10)22-23)17-21-18-13(26-17)7-12(25-18)9-2-4-20-5-3-9/h6-9,20,24H,2-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol?
7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol has a molecular weight of 388.49 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5-(5-piperidin-4-ylthieno[2,3-d][1,3]thiazol-2-yl)indazol-6-ol is sourced from PubChem (CID 162433181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).