N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C24H20FN3OS — CID 59579025

IUPACN-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1cccc(F)c1-c1nc2sc3ccccc3n2c1Nc1c(C)cccc1C
InChIInChI=1S/C24H20FN3OS/c1-14-8-6-9-15(2)21(14)26-23-22(20-16(25)10-7-12-18(20)29-3)27-24-28(23)17-11-4-5-13-19(17)30-24/h4-13,26H,1-3H3
InChIKeyHMQIKPDCJZLIKP-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.72
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 59579025) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID59579025
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1cccc(F)c1-c1nc2sc3ccccc3n2c1Nc1c(C)cccc1C
InChIInChI=1S/C24H20FN3OS/c1-14-8-6-9-15(2)21(14)26-23-22(20-16(25)10-7-12-18(20)29-3)27-24-28(23)17-11-4-5-13-19(17)30-24/h4-13,26H,1-3H3
InChIKeyHMQIKPDCJZLIKP-UHFFFAOYSA-N
XLogP6.72
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 59579025) is N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is COc1cccc(F)c1-c1nc2sc3ccccc3n2c1Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is HMQIKPDCJZLIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c1-14-8-6-9-15(2)21(14)26-23-22(20-16(25)10-7-12-18(20)29-3)27-24-28(23)17-11-4-5-13-19(17)30-24/h4-13,26H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 417.51 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-fluoro-6-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 59579025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).