N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide

C21H16F3N3O2S — CID 168986715

IUPACN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)14-3-1-13(2-4-14)7-8-29-15-5-6-17-16(9-15)18(10-26-17)27-20(28)19-11-25-12-30-19/h1-6,9-12,26H,7-8H2,(H,27,28)
InChIKeyPBONZLSIEIIGDV-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.52
Rot. Bonds6

About N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide

N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 168986715) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID168986715
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC NameN-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)14-3-1-13(2-4-14)7-8-29-15-5-6-17-16(9-15)18(10-26-17)27-20(28)19-11-25-12-30-19/h1-6,9-12,26H,7-8H2,(H,27,28)
InChIKeyPBONZLSIEIIGDV-UHFFFAOYSA-N
XLogP5.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide (CID 168986715) is N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1c[nH]c2ccc(OCCc3ccc(C(F)(F)F)cc3)cc12)c1cncs1.
What is the InChIKey of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PBONZLSIEIIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-21(23,24)14-3-1-13(2-4-14)7-8-29-15-5-6-17-16(9-15)18(10-26-17)27-20(28)19-11-25-12-30-19/h1-6,9-12,26H,7-8H2,(H,27,28).
What are the key properties of N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide?
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).