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

C14H12F3N3S — CID 115331578

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCc2cn3ccsc3n2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N3S/c1-9-2-3-10(6-12(9)14(15,16)17)18-7-11-8-20-4-5-21-13(20)19-11/h2-6,8,18H,7H2,1H3
InChIKeyZEJUBTRJXIAGIV-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.34
Rot. Bonds3

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline (PubChem CID 115331578) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
PubChem CID115331578
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCc2cn3ccsc3n2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N3S/c1-9-2-3-10(6-12(9)14(15,16)17)18-7-11-8-20-4-5-21-13(20)19-11/h2-6,8,18H,7H2,1H3
InChIKeyZEJUBTRJXIAGIV-UHFFFAOYSA-N
XLogP4.34
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.34
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-(trifluoromethyl)aniline
CID 115331445
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
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)-1,3-benzothiazol-6-amine
CID 107804908
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
7-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47082242
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 81312578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78851235
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline (CID 115331578) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline is Cc1ccc(NCc2cn3ccsc3n2)cc1C(F)(F)F.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
The InChIKey is ZEJUBTRJXIAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-9-2-3-10(6-12(9)14(15,16)17)18-7-11-8-20-4-5-21-13(20)19-11/h2-6,8,18H,7H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline has a molecular weight of 311.33 g/mol, XLogP of 4.34, 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-methyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 115331578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).