1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one

C25H23F3N2O2S — CID 58677201

IUPAC1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(C)=O
InChIInChI=1S/C25H23F3N2O2S/c1-3-5-20-23(33-24(29-20)17-8-10-18(11-9-17)25(26,27)28)15-32-22-7-4-6-21-19(22)12-13-30(21)14-16(2)31/h4,6-13H,3,5,14-15H2,1-2H3
InChIKeyGSJRARRTINBUGQ-UHFFFAOYSA-N
MW472.53 g/mol
LogP6.90
Rot. Bonds8

About 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one

1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one (PubChem CID 58677201) has the molecular formula C25H23F3N2O2S and a molecular weight of 472.53 g/mol. Its IUPAC name is 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one
PubChem CID58677201
Molecular FormulaC25H23F3N2O2S
Molecular Weight472.53 g/mol
Exact Mass472.14
IUPAC Name1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(C)=O
InChIInChI=1S/C25H23F3N2O2S/c1-3-5-20-23(33-24(29-20)17-8-10-18(11-9-17)25(26,27)28)15-32-22-7-4-6-21-19(22)12-13-30(21)14-16(2)31/h4,6-13H,3,5,14-15H2,1-2H3
InChIKeyGSJRARRTINBUGQ-UHFFFAOYSA-N
XLogP6.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetic acid
CID 142952077
2-(4-propoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83164606
ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 142923281
2-[5-[[4-[(2-chloro-6-fluorophenoxy)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propanoic acid
CID 11204218
2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid
CID 11214000
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
3-[2-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]benzoic acid
CID 23122311
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
3-[2-methyl-4-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]phenyl]propanoic acid
CID 10217421
3-methyl-3-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]butan-2-one
CID 23549134
(2R)-3-[4-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-methoxypropanoic acid
CID 58626656
2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 58934100

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one?
The IUPAC name of 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one (CID 58677201) is 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one is CCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(C)=O.
What is the InChIKey of 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one?
The InChIKey is GSJRARRTINBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O2S/c1-3-5-20-23(33-24(29-20)17-8-10-18(11-9-17)25(26,27)28)15-32-22-7-4-6-21-19(22)12-13-30(21)14-16(2)31/h4,6-13H,3,5,14-15H2,1-2H3.
What are the key properties of 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one?
1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one has a molecular weight of 472.53 g/mol, XLogP of 6.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]propan-2-one is sourced from PubChem (CID 58677201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).