2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole

C22H22FN5S — CID 22259225

IUPAC2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole
SMILESCc1sc(-c2[nH]nc3c(F)cccc23)nc1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H22FN5S/c1-14-19(15-6-8-16(9-7-15)28-12-10-27(2)11-13-28)24-22(29-14)21-17-4-3-5-18(23)20(17)25-26-21/h3-9H,10-13H2,1-2H3,(H,25,26)
InChIKeyLYMIRPZTEWOITI-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.55
Rot. Bonds3

About 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole

2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole (PubChem CID 22259225) has the molecular formula C22H22FN5S and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole
PubChem CID22259225
Molecular FormulaC22H22FN5S
Molecular Weight407.52 g/mol
Exact Mass407.16
IUPAC Name2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole
SMILESCc1sc(-c2[nH]nc3c(F)cccc23)nc1-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H22FN5S/c1-14-19(15-6-8-16(9-7-15)28-12-10-27(2)11-13-28)24-22(29-14)21-17-4-3-5-18(23)20(17)25-26-21/h3-9H,10-13H2,1-2H3,(H,25,26)
InChIKeyLYMIRPZTEWOITI-UHFFFAOYSA-N
XLogP4.55
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole (CID 22259225) is 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole is Cc1sc(-c2[nH]nc3c(F)cccc23)nc1-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole?
The InChIKey is LYMIRPZTEWOITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5S/c1-14-19(15-6-8-16(9-7-15)28-12-10-27(2)11-13-28)24-22(29-14)21-17-4-3-5-18(23)20(17)25-26-21/h3-9H,10-13H2,1-2H3,(H,25,26).
What are the key properties of 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole?
2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole has a molecular weight of 407.52 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2H-indazol-3-yl)-5-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 22259225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).