2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

C19H19FN4OS2 — CID 162432885

IUPAC2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCOc1c(-c2nc3sc(C4CCNCC4)cc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C19H19FN4OS2/c1-24-9-11-7-12(17(25-2)15(20)16(11)23-24)18-22-19-14(27-18)8-13(26-19)10-3-5-21-6-4-10/h7-10,21H,3-6H2,1-2H3
InChIKeyVGNHUYBZHQRGDQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.53
Rot. Bonds3

About 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (PubChem CID 162432885) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
PubChem CID162432885
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC Name2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCOc1c(-c2nc3sc(C4CCNCC4)cc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C19H19FN4OS2/c1-24-9-11-7-12(17(25-2)15(20)16(11)23-24)18-22-19-14(27-18)8-13(26-19)10-3-5-21-6-4-10/h7-10,21H,3-6H2,1-2H3
InChIKeyVGNHUYBZHQRGDQ-UHFFFAOYSA-N
XLogP4.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (CID 162432885) is 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is COc1c(-c2nc3sc(C4CCNCC4)cc3s2)cc2cn(C)nc2c1F.
What is the InChIKey of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The InChIKey is VGNHUYBZHQRGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-24-9-11-7-12(17(25-2)15(20)16(11)23-24)18-22-19-14(27-18)8-13(26-19)10-3-5-21-6-4-10/h7-10,21H,3-6H2,1-2H3.
What are the key properties of 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole has a molecular weight of 402.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-6-methoxy-2-methylindazol-5-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 162432885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).