N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C20H14F3N3OS — CID 90625995

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)11-18(27)24-16-4-2-1-3-15(16)17-12-26-9-10-28-19(26)25-17/h1-10,12H,11H2,(H,24,27)
InChIKeyNFTRUOKHNNCGAW-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.26
Rot. Bonds4

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90625995) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90625995
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)11-18(27)24-16-4-2-1-3-15(16)17-12-26-9-10-28-19(26)25-17/h1-10,12H,11H2,(H,24,27)
InChIKeyNFTRUOKHNNCGAW-UHFFFAOYSA-N
XLogP5.26
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 90625995) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NFTRUOKHNNCGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-5-13(6-8-14)11-18(27)24-16-4-2-1-3-15(16)17-12-26-9-10-28-19(26)25-17/h1-10,12H,11H2,(H,24,27).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90625995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).