5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C20H15F3N2OS — CID 11574605

IUPAC5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2[nH]ccc12
InChIInChI=1S/C20H15F3N2OS/c1-12-18(11-26-17-4-2-3-16-15(17)9-10-24-16)27-19(25-12)13-5-7-14(8-6-13)20(21,22)23/h2-10,24H,11H2,1H3
InChIKeyBNTCOZSJPHYQBP-UHFFFAOYSA-N
MW388.41 g/mol
LogP6.20
Rot. Bonds4

About 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 11574605) has the molecular formula C20H15F3N2OS and a molecular weight of 388.41 g/mol. Its IUPAC name is 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID11574605
Molecular FormulaC20H15F3N2OS
Molecular Weight388.41 g/mol
Exact Mass388.09
IUPAC Name5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2[nH]ccc12
InChIInChI=1S/C20H15F3N2OS/c1-12-18(11-26-17-4-2-3-16-15(17)9-10-24-16)27-19(25-12)13-5-7-14(8-6-13)20(21,22)23/h2-10,24H,11H2,1H3
InChIKeyBNTCOZSJPHYQBP-UHFFFAOYSA-N
XLogP6.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 11574605) is 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2[nH]ccc12.
What is the InChIKey of 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is BNTCOZSJPHYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2OS/c1-12-18(11-26-17-4-2-3-16-15(17)9-10-24-16)27-19(25-12)13-5-7-14(8-6-13)20(21,22)23/h2-10,24H,11H2,1H3.
What are the key properties of 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 388.41 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yloxymethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 11574605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).