4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C24H23F3N2OS — CID 23614508

IUPAC4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1c[nH]c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12
InChIInChI=1S/C24H23F3N2OS/c1-3-4-17-14-28-21-13-19(9-10-20(17)21)30-12-11-22-15(2)29-23(31-22)16-5-7-18(8-6-16)24(25,26)27/h5-10,13-14,28H,3-4,11-12H2,1-2H3
InChIKeyXZFPLLXFPXWISU-UHFFFAOYSA-N
MW444.52 g/mol
LogP7.19
Rot. Bonds7

About 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 23614508) has the molecular formula C24H23F3N2OS and a molecular weight of 444.52 g/mol. Its IUPAC name is 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID23614508
Molecular FormulaC24H23F3N2OS
Molecular Weight444.52 g/mol
Exact Mass444.15
IUPAC Name4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCCCc1c[nH]c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12
InChIInChI=1S/C24H23F3N2OS/c1-3-4-17-14-28-21-13-19(9-10-20(17)21)30-12-11-22-15(2)29-23(31-22)16-5-7-18(8-6-16)24(25,26)27/h5-10,13-14,28H,3-4,11-12H2,1-2H3
InChIKeyXZFPLLXFPXWISU-UHFFFAOYSA-N
XLogP7.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 23614508) is 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is CCCc1c[nH]c2cc(OCCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)ccc12.
What is the InChIKey of 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is XZFPLLXFPXWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2OS/c1-3-4-17-14-28-21-13-19(9-10-20(17)21)30-12-11-22-15(2)29-23(31-22)16-5-7-18(8-6-16)24(25,26)27/h5-10,13-14,28H,3-4,11-12H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 444.52 g/mol, XLogP of 7.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[(3-propyl-1H-indol-6-yl)oxy]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 23614508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).