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

C21H16F3N3OS — CID 118335516

IUPAC5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H16F3N3OS/c1-13-19(25-12-29-13)20(28)26-17-11-27(18-5-3-2-4-16(17)18)10-14-6-8-15(9-7-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyZTAMKRUCVQANAE-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.73
Rot. Bonds4

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

5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118335516) has the molecular formula C21H16F3N3OS and a molecular weight of 415.44 g/mol. Its IUPAC name is 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID118335516
Molecular FormulaC21H16F3N3OS
Molecular Weight415.44 g/mol
Exact Mass415.10
IUPAC Name5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1scnc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H16F3N3OS/c1-13-19(25-12-29-13)20(28)26-17-11-27(18-5-3-2-4-16(17)18)10-14-6-8-15(9-7-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28)
InChIKeyZTAMKRUCVQANAE-UHFFFAOYSA-N
XLogP5.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-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 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide (CID 118335516) is 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide is Cc1scnc1C(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZTAMKRUCVQANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3OS/c1-13-19(25-12-29-13)20(28)26-17-11-27(18-5-3-2-4-16(17)18)10-14-6-8-15(9-7-14)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,26,28).
What are the key properties of 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide?
5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118335516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).