4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline

C17H14FN3S — CID 24757875

IUPAC4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C17H14FN3S/c1-20(2)13-6-3-11(4-7-13)14-10-21-15-8-5-12(18)9-16(15)22-17(21)19-14/h3-10H,1-2H3
InChIKeyTVCIMIYSVZOTFR-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.42
Rot. Bonds2

About 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline

4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline (PubChem CID 24757875) has the molecular formula C17H14FN3S and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
PubChem CID24757875
Molecular FormulaC17H14FN3S
Molecular Weight311.39 g/mol
Exact Mass311.09
IUPAC Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C17H14FN3S/c1-20(2)13-6-3-11(4-7-13)14-10-21-15-8-5-12(18)9-16(15)22-17(21)19-14/h3-10H,1-2H3
InChIKeyTVCIMIYSVZOTFR-UHFFFAOYSA-N
XLogP4.42
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline (CID 24757875) is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is TVCIMIYSVZOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3S/c1-20(2)13-6-3-11(4-7-13)14-10-21-15-8-5-12(18)9-16(15)22-17(21)19-14/h3-10H,1-2H3.
What are the key properties of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 311.39 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 24757875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).