6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

C19H14ClF2N3S — CID 59578837

IUPAC6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(F)cc3)n2c1C
InChIInChI=1S/C19H14ClF2N3S/c1-10-11(2)26-19-24-17(16-14(20)4-3-5-15(16)22)18(25(10)19)23-13-8-6-12(21)7-9-13/h3-9,23H,1-2H3
InChIKeyPVXRGKFSKCJIRP-UHFFFAOYSA-N
MW389.86 g/mol
LogP6.35
Rot. Bonds3

About 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59578837) has the molecular formula C19H14ClF2N3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59578837
Molecular FormulaC19H14ClF2N3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(F)cc3)n2c1C
InChIInChI=1S/C19H14ClF2N3S/c1-10-11(2)26-19-24-17(16-14(20)4-3-5-15(16)22)18(25(10)19)23-13-8-6-12(21)7-9-13/h3-9,23H,1-2H3
InChIKeyPVXRGKFSKCJIRP-UHFFFAOYSA-N
XLogP6.35
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59578837) is 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1sc2nc(-c3c(F)cccc3Cl)c(Nc3ccc(F)cc3)n2c1C.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is PVXRGKFSKCJIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3S/c1-10-11(2)26-19-24-17(16-14(20)4-3-5-15(16)22)18(25(10)19)23-13-8-6-12(21)7-9-13/h3-9,23H,1-2H3.
What are the key properties of 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 389.86 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59578837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).