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

C20H14F3N3OS — CID 118414433

IUPAC2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)15-4-1-12(2-5-15)10-26-8-7-13-9-14(3-6-17(13)26)19-25-16(11-28-19)18(24)27/h1-9,11H,10H2,(H2,24,27)
InChIKeyVCGNHMVRPNZNRS-UHFFFAOYSA-N
MW401.41 g/mol
LogP4.93
Rot. Bonds4

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

2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118414433) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID118414433
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC Name2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)15-4-1-12(2-5-15)10-26-8-7-13-9-14(3-6-17(13)26)19-25-16(11-28-19)18(24)27/h1-9,11H,10H2,(H2,24,27)
InChIKeyVCGNHMVRPNZNRS-UHFFFAOYSA-N
XLogP4.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-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

Related Compounds

2-(4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 1483697
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
N-[1-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-4-carboxamide
CID 66605581
[3-[4-(1,3-Thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]methanone
CID 66839970
[3-[4-(1,3-Thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]methanone
CID 66839971
[1-(4-Fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840014
Bacillamide C
CID 24178996
Indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 71710888
2-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71602948
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide
CID 155810197
Nra-0562
CID 9804574
Bacillamide
CID 11077881

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide (CID 118414433) is 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2ccc3c(ccn3Cc3ccc(C(F)(F)F)cc3)c2)n1.
What is the InChIKey of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VCGNHMVRPNZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c21-20(22,23)15-4-1-12(2-5-15)10-26-8-7-13-9-14(3-6-17(13)26)19-25-16(11-28-19)18(24)27/h1-9,11H,10H2,(H2,24,27).
What are the key properties of 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide?
2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118414433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).