4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol

C18H17FN4OS2 — CID 162432913

IUPAC4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol
SMILESCn1cc2cc(-c3nc4sc(C5(O)CCNCC5)cc4s3)cc(F)c2n1
InChIInChI=1S/C18H17FN4OS2/c1-23-9-11-6-10(7-12(19)15(11)22-23)16-21-17-13(25-16)8-14(26-17)18(24)2-4-20-5-3-18/h6-9,20,24H,2-5H2,1H3
InChIKeyHFEOKLUXMRTWOR-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.62
Rot. Bonds2

About 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol

4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol (PubChem CID 162432913) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol
PubChem CID162432913
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol
SMILESCn1cc2cc(-c3nc4sc(C5(O)CCNCC5)cc4s3)cc(F)c2n1
InChIInChI=1S/C18H17FN4OS2/c1-23-9-11-6-10(7-12(19)15(11)22-23)16-21-17-13(25-16)8-14(26-17)18(24)2-4-20-5-3-18/h6-9,20,24H,2-5H2,1H3
InChIKeyHFEOKLUXMRTWOR-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol (CID 162432913) is 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol is Cn1cc2cc(-c3nc4sc(C5(O)CCNCC5)cc4s3)cc(F)c2n1.
What is the InChIKey of 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol?
The InChIKey is HFEOKLUXMRTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c1-23-9-11-6-10(7-12(19)15(11)22-23)16-21-17-13(25-16)8-14(26-17)18(24)2-4-20-5-3-18/h6-9,20,24H,2-5H2,1H3.
What are the key properties of 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol?
4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol has a molecular weight of 388.49 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 162432913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).