N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide

C20H14F3N3O2S — CID 168986863

IUPACN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-3-1-12(2-4-13)10-28-14-5-6-16-15(7-14)17(8-25-16)26-19(27)18-9-24-11-29-18/h1-9,11,25H,10H2,(H,26,27)
InChIKeyBGOJKJFXWKWTQX-UHFFFAOYSA-N
MW417.41 g/mol
LogP5.47
Rot. Bonds5

About N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide

N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 168986863) has the molecular formula C20H14F3N3O2S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID168986863
Molecular FormulaC20H14F3N3O2S
Molecular Weight417.41 g/mol
Exact Mass417.08
IUPAC NameN-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1
InChIInChI=1S/C20H14F3N3O2S/c21-20(22,23)13-3-1-12(2-4-13)10-28-14-5-6-16-15(7-14)17(8-25-16)26-19(27)18-9-24-11-29-18/h1-9,11,25H,10H2,(H,26,27)
InChIKeyBGOJKJFXWKWTQX-UHFFFAOYSA-N
XLogP5.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.41
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986715
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829
3,3-difluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167468164
1-(2,2-difluoroethyl)-3-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]azetidine-3-carboxamide
CID 167467668
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]spiro[2.3]hexane-2-carboxamide
CID 168986710
(2R,4S)-4-fluoro-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[3.1.1]heptane-2-carboxamide
CID 170059461
4-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]bicyclo[2.1.1]hexane-2-carboxamide
CID 170059611
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
methylcyclobutane;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467992
4-methylcyclohexan-1-ol;N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]formamide
CID 167467744
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide (CID 168986863) is N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1c[nH]c2ccc(OCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1.
What is the InChIKey of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BGOJKJFXWKWTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2S/c21-20(22,23)13-3-1-12(2-4-13)10-28-14-5-6-16-15(7-14)17(8-25-16)26-19(27)18-9-24-11-29-18/h1-9,11,25H,10H2,(H,26,27).
What are the key properties of N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168986863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).