4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C22H21FN4S — CID 9421387

IUPAC4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C22H21FN4S/c1-26-10-12-27(13-11-26)22-25-19(14-28-22)20-17-4-2-3-5-18(17)24-21(20)15-6-8-16(23)9-7-15/h2-9,14,24H,10-13H2,1H3
InChIKeySQEJFLXZNCAVRF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.85
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 9421387) has the molecular formula C22H21FN4S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID9421387
Molecular FormulaC22H21FN4S
Molecular Weight392.50 g/mol
Exact Mass392.15
IUPAC Name4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CC1
InChIInChI=1S/C22H21FN4S/c1-26-10-12-27(13-11-26)22-25-19(14-28-22)20-17-4-2-3-5-18(17)24-21(20)15-6-8-16(23)9-7-15/h2-9,14,24H,10-13H2,1H3
InChIKeySQEJFLXZNCAVRF-UHFFFAOYSA-N
XLogP4.85
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 9421387) is 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is SQEJFLXZNCAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4S/c1-26-10-12-27(13-11-26)22-25-19(14-28-22)20-17-4-2-3-5-18(17)24-21(20)15-6-8-16(23)9-7-15/h2-9,14,24H,10-13H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 392.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 9421387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).