6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C24H16F2N4S — CID 53230744

IUPAC6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H16F2N4S/c1-13-2-8-19-17(10-13)18(12-27-19)22-23(28-16-6-3-14(25)4-7-16)30-20-9-5-15(26)11-21(20)31-24(30)29-22/h2-12,27-28H,1H3
InChIKeyCMQZLQGKDBVZCY-UHFFFAOYSA-N
MW430.48 g/mol
LogP7.03
Rot. Bonds3

About 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 53230744) has the molecular formula C24H16F2N4S and a molecular weight of 430.48 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID53230744
Molecular FormulaC24H16F2N4S
Molecular Weight430.48 g/mol
Exact Mass430.11
IUPAC Name6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H16F2N4S/c1-13-2-8-19-17(10-13)18(12-27-19)22-23(28-16-6-3-14(25)4-7-16)30-20-9-5-15(26)11-21(20)31-24(30)29-22/h2-12,27-28H,1H3
InChIKeyCMQZLQGKDBVZCY-UHFFFAOYSA-N
XLogP7.03
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 53230744) is 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Cc1ccc2[nH]cc(-c3nc4sc5cc(F)ccc5n4c3Nc3ccc(F)cc3)c2c1.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is CMQZLQGKDBVZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4S/c1-13-2-8-19-17(10-13)18(12-27-19)22-23(28-16-6-3-14(25)4-7-16)30-20-9-5-15(26)11-21(20)31-24(30)29-22/h2-12,27-28H,1H3.
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 430.48 g/mol, XLogP of 7.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-2-(5-methyl-1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 53230744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).