N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C16H10F3N5O2S — CID 91642422

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)14-22-12(23-26-14)9-1-3-10(4-2-9)13(25)20-7-11-8-24-5-6-27-15(24)21-11/h1-6,8H,7H2,(H,20,25)
InChIKeyYPDKQXCIPOBOJN-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.39
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 91642422) has the molecular formula C16H10F3N5O2S and a molecular weight of 393.35 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID91642422
Molecular FormulaC16H10F3N5O2S
Molecular Weight393.35 g/mol
Exact Mass393.05
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCc1cn2ccsc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F3N5O2S/c17-16(18,19)14-22-12(23-26-14)9-1-3-10(4-2-9)13(25)20-7-11-8-24-5-6-27-15(24)21-11/h1-6,8H,7H2,(H,20,25)
InChIKeyYPDKQXCIPOBOJN-UHFFFAOYSA-N
XLogP3.39
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
N-(3-hydroxypropyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230893
N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
CID 155193306
N'-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzohydrazide
CID 130442122
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55561183
N-(2-phenylsulfanylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777421
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
N-cyclopropyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230960
N-pentan-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138669517
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532689
N-[[(3S)-morpholin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 129307656

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 91642422) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCc1cn2ccsc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is YPDKQXCIPOBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2S/c17-16(18,19)14-22-12(23-26-14)9-1-3-10(4-2-9)13(25)20-7-11-8-24-5-6-27-15(24)21-11/h1-6,8H,7H2,(H,20,25).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 393.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 91642422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).