N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline

C18H14F3N3S — CID 66806035

IUPACN,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C18H14F3N3S/c1-23(2)13-6-3-11(4-7-13)14-10-24-15-8-5-12(18(19,20)21)9-16(15)25-17(24)22-14/h3-10H,1-2H3
InChIKeyUNNWXEINTLOIMJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.30
Rot. Bonds2

About N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline

N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline (PubChem CID 66806035) has the molecular formula C18H14F3N3S and a molecular weight of 361.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline
PubChem CID66806035
Molecular FormulaC18H14F3N3S
Molecular Weight361.39 g/mol
Exact Mass361.09
IUPAC NameN,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C18H14F3N3S/c1-23(2)13-6-3-11(4-7-13)14-10-24-15-8-5-12(18(19,20)21)9-16(15)25-17(24)22-14/h3-10H,1-2H3
InChIKeyUNNWXEINTLOIMJ-UHFFFAOYSA-N
XLogP5.30
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline (CID 66806035) is N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline is CN(C)c1ccc(-c2cn3c(n2)sc2cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline?
The InChIKey is UNNWXEINTLOIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3S/c1-23(2)13-6-3-11(4-7-13)14-10-24-15-8-5-12(18(19,20)21)9-16(15)25-17(24)22-14/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline?
N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline has a molecular weight of 361.39 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]aniline is sourced from PubChem (CID 66806035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).