3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

C23H16F3N3S — CID 71016477

IUPAC3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESFc1ccc(Nc2c(-c3c(F)cccc3F)nc3scc(C4=CC=CCC4)n23)cc1
InChIInChI=1S/C23H16F3N3S/c24-15-9-11-16(12-10-15)27-22-21(20-17(25)7-4-8-18(20)26)28-23-29(22)19(13-30-23)14-5-2-1-3-6-14/h1-2,4-5,7-13,27H,3,6H2
InChIKeyGCHMPOKSTXTVEF-UHFFFAOYSA-N
MW423.46 g/mol
LogP6.96
Rot. Bonds4

About 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 71016477) has the molecular formula C23H16F3N3S and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID71016477
Molecular FormulaC23H16F3N3S
Molecular Weight423.46 g/mol
Exact Mass423.10
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESFc1ccc(Nc2c(-c3c(F)cccc3F)nc3scc(C4=CC=CCC4)n23)cc1
InChIInChI=1S/C23H16F3N3S/c24-15-9-11-16(12-10-15)27-22-21(20-17(25)7-4-8-18(20)26)28-23-29(22)19(13-30-23)14-5-2-1-3-6-14/h1-2,4-5,7-13,27H,3,6H2
InChIKeyGCHMPOKSTXTVEF-UHFFFAOYSA-N
XLogP6.96
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 71016477) is 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is Fc1ccc(Nc2c(-c3c(F)cccc3F)nc3scc(C4=CC=CCC4)n23)cc1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is GCHMPOKSTXTVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3S/c24-15-9-11-16(12-10-15)27-22-21(20-17(25)7-4-8-18(20)26)28-23-29(22)19(13-30-23)14-5-2-1-3-6-14/h1-2,4-5,7-13,27H,3,6H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 423.46 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-6-(2,6-difluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 71016477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).