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

C16H12FN3S — CID 54583507

IUPAC4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C16H12FN3S/c1-18-12-5-2-10(3-6-12)13-9-20-14-7-4-11(17)8-15(14)21-16(20)19-13/h2-9,18H,1H3
InChIKeyZDFNEDITJMCQLN-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.40
Rot. Bonds2

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

4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline (PubChem CID 54583507) has the molecular formula C16H12FN3S and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
PubChem CID54583507
Molecular FormulaC16H12FN3S
Molecular Weight297.36 g/mol
Exact Mass297.07
IUPAC Name4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1
InChIInChI=1S/C16H12FN3S/c1-18-12-5-2-10(3-6-12)13-9-20-14-7-4-11(17)8-15(14)21-16(20)19-13/h2-9,18H,1H3
InChIKeyZDFNEDITJMCQLN-UHFFFAOYSA-N
XLogP4.40
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
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-methylaniline?
The IUPAC name of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline (CID 54583507) is 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline is CNc1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
The InChIKey is ZDFNEDITJMCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3S/c1-18-12-5-2-10(3-6-12)13-9-20-14-7-4-11(17)8-15(14)21-16(20)19-13/h2-9,18H,1H3.
What are the key properties of 4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
4-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline has a molecular weight of 297.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 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-methylaniline is sourced from PubChem (CID 54583507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).