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

C21H17F3N2OS — CID 23614496

IUPAC4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(C)c[nH]c2c1
InChIInChI=1S/C21H17F3N2OS/c1-12-10-25-18-9-16(7-8-17(12)18)27-11-19-13(2)26-20(28-19)14-3-5-15(6-4-14)21(22,23)24/h3-10,25H,11H2,1-2H3
InChIKeyWSZFZSSQKSFNRO-UHFFFAOYSA-N
MW402.44 g/mol
LogP6.51
Rot. Bonds4

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

4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 23614496) has the molecular formula C21H17F3N2OS and a molecular weight of 402.44 g/mol. Its IUPAC name is 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID23614496
Molecular FormulaC21H17F3N2OS
Molecular Weight402.44 g/mol
Exact Mass402.10
IUPAC Name4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(C)c[nH]c2c1
InChIInChI=1S/C21H17F3N2OS/c1-12-10-25-18-9-16(7-8-17(12)18)27-11-19-13(2)26-20(28-19)14-3-5-15(6-4-14)21(22,23)24/h3-10,25H,11H2,1-2H3
InChIKeyWSZFZSSQKSFNRO-UHFFFAOYSA-N
XLogP6.51
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole
CID 11160579
(E)-N-((1H-Indol-3-yl)methylene)-4-(2,4-diethoxyphenyl)thiazol-2-amine
CID 135931723
5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 155544392
5-Methoxycamalexin
CID 21726826
(2-((1-((2-(Trifluoromethyl)thiazol-5-yl)methyl)-1H-indol-4-yl)oxy)pyridin-4-ylmethanamine hydrochloride
CID 122516241
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)-
CID 3063502
2-[4-(5-phenylmethoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 49861005
3,4-dimethoxy-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76310294
6-methoxy-3-[(6-methoxy-1H-indol-3-yl)methyl]-1H-indole
CID 11162554
5-[5-[4-(4-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10114773
5-[3-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
CID 10136996
5-[5-[4-(7-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10275651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 23614496) is 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(C)c[nH]c2c1.
What is the InChIKey of 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is WSZFZSSQKSFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2OS/c1-12-10-25-18-9-16(7-8-17(12)18)27-11-19-13(2)26-20(28-19)14-3-5-15(6-4-14)21(22,23)24/h3-10,25H,11H2,1-2H3.
What are the key properties of 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 402.44 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methyl-1H-indol-6-yl)oxymethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 23614496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).