N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline

C13H10F3N3S — CID 115331445

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)9-1-3-10(4-2-9)17-7-11-8-19-5-6-20-12(19)18-11/h1-6,8,17H,7H2
InChIKeyYISAOLHOHUYZON-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.03
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 115331445) has the molecular formula C13H10F3N3S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID115331445
Molecular FormulaC13H10F3N3S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H10F3N3S/c14-13(15,16)9-1-3-10(4-2-9)17-7-11-8-19-5-6-20-12(19)18-11/h1-6,8,17H,7H2
InChIKeyYISAOLHOHUYZON-UHFFFAOYSA-N
XLogP4.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111299707
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105120475
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline (CID 115331445) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2cn3ccsc3n2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is YISAOLHOHUYZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3S/c14-13(15,16)9-1-3-10(4-2-9)17-7-11-8-19-5-6-20-12(19)18-11/h1-6,8,17H,7H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 297.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115331445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).