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

C23H17F2N3S — CID 71016393

IUPAC3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESFc1ccc(Nc2c(-c3ccccc3F)nc3scc(C4=CC=CCC4)n23)cc1
InChIInChI=1S/C23H17F2N3S/c24-16-10-12-17(13-11-16)26-22-21(18-8-4-5-9-19(18)25)27-23-28(22)20(14-29-23)15-6-2-1-3-7-15/h1-2,4-6,8-14,26H,3,7H2
InChIKeyWACIBRGVUUEPSK-UHFFFAOYSA-N
MW405.47 g/mol
LogP6.82
Rot. Bonds4

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

3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 71016393) has the molecular formula C23H17F2N3S and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID71016393
Molecular FormulaC23H17F2N3S
Molecular Weight405.47 g/mol
Exact Mass405.11
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESFc1ccc(Nc2c(-c3ccccc3F)nc3scc(C4=CC=CCC4)n23)cc1
InChIInChI=1S/C23H17F2N3S/c24-16-10-12-17(13-11-16)26-22-21(18-8-4-5-9-19(18)25)27-23-28(22)20(14-29-23)15-6-2-1-3-7-15/h1-2,4-6,8-14,26H,3,7H2
InChIKeyWACIBRGVUUEPSK-UHFFFAOYSA-N
XLogP6.82
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 56.82
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-fluorophenyl)-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-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 71016393) is 3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is Fc1ccc(Nc2c(-c3ccccc3F)nc3scc(C4=CC=CCC4)n23)cc1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is WACIBRGVUUEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3S/c24-16-10-12-17(13-11-16)26-22-21(18-8-4-5-9-19(18)25)27-23-28(22)20(14-29-23)15-6-2-1-3-7-15/h1-2,4-6,8-14,26H,3,7H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
3-cyclohexa-1,3-dien-1-yl-6-(2-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 405.47 g/mol, XLogP of 6.82, 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-fluorophenyl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 71016393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).