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

C26H22F2N6O2S2 — CID 57433668

IUPAC4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)C1
InChIInChI=1S/C26H22F2N6O2S2/c27-18-5-3-17(4-6-18)23-24(34-14-15-37-26(34)32-23)22-11-12-29-25(31-22)30-20-2-1-13-33(16-20)38(35,36)21-9-7-19(28)8-10-21/h3-12,14-15,20H,1-2,13,16H2,(H,29,30,31)
InChIKeyTZJNAGWXGMVZHO-UHFFFAOYSA-N
MW552.63 g/mol
LogP5.06
Rot. Bonds6

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

4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 57433668) has the molecular formula C26H22F2N6O2S2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID57433668
Molecular FormulaC26H22F2N6O2S2
Molecular Weight552.63 g/mol
Exact Mass552.12
IUPAC Name4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)C1
InChIInChI=1S/C26H22F2N6O2S2/c27-18-5-3-17(4-6-18)23-24(34-14-15-37-26(34)32-23)22-11-12-29-25(31-22)30-20-2-1-13-33(16-20)38(35,36)21-9-7-19(28)8-10-21/h3-12,14-15,20H,1-2,13,16H2,(H,29,30,31)
InChIKeyTZJNAGWXGMVZHO-UHFFFAOYSA-N
XLogP5.06
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine (CID 57433668) is 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine is O=S(=O)(c1ccc(F)cc1)N1CCCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4sccn34)n2)C1.
What is the InChIKey of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is TZJNAGWXGMVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2S2/c27-18-5-3-17(4-6-18)23-24(34-14-15-37-26(34)32-23)22-11-12-29-25(31-22)30-20-2-1-13-33(16-20)38(35,36)21-9-7-19(28)8-10-21/h3-12,14-15,20H,1-2,13,16H2,(H,29,30,31).
What are the key properties of 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine?
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 552.63 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 57433668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).