N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H11F3N6OS — CID 56707592

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C16H11F3N6OS/c17-16(18,19)10-3-1-9(2-4-10)11-6-25-12(7-27-15(25)23-11)14(26)20-5-13-21-8-22-24-13/h1-4,6-8H,5H2,(H,20,26)(H,21,22,24)
InChIKeyFKHDPSIVTBJJRS-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.13
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56707592) has the molecular formula C16H11F3N6OS and a molecular weight of 392.37 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56707592
Molecular FormulaC16H11F3N6OS
Molecular Weight392.37 g/mol
Exact Mass392.07
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C16H11F3N6OS/c17-16(18,19)10-3-1-9(2-4-10)11-6-25-12(7-27-15(25)23-11)14(26)20-5-13-21-8-22-24-13/h1-4,6-8H,5H2,(H,20,26)(H,21,22,24)
InChIKeyFKHDPSIVTBJJRS-UHFFFAOYSA-N
XLogP3.13
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-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

N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42516856
N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42290122
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95188658
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42287930
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42147819
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-carboxamide
CID 60982202
N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56751137

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56707592) is N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCc1ncn[nH]1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FKHDPSIVTBJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6OS/c17-16(18,19)10-3-1-9(2-4-10)11-6-25-12(7-27-15(25)23-11)14(26)20-5-13-21-8-22-24-13/h1-4,6-8H,5H2,(H,20,26)(H,21,22,24).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 392.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56707592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).