3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol

C26H24N6O4S2 — CID 24759700

IUPAC3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)C1
InChIInChI=1S/C26H24N6O4S2/c33-19-6-1-4-17(14-19)23-24(32-12-13-37-26(32)30-23)22-9-10-27-25(29-22)28-18-5-3-11-31(16-18)38(35,36)21-8-2-7-20(34)15-21/h1-2,4,6-10,12-15,18,33-34H,3,5,11,16H2,(H,27,28,29)/t18-/m1/s1
InChIKeyASXPJXXQFMMZEE-GOSISDBHSA-N
MW548.65 g/mol
LogP4.20
Rot. Bonds6

About 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol

3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 24759700) has the molecular formula C26H24N6O4S2 and a molecular weight of 548.65 g/mol. Its IUPAC name is 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID24759700
Molecular FormulaC26H24N6O4S2
Molecular Weight548.65 g/mol
Exact Mass548.13
IUPAC Name3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESO=S(=O)(c1cccc(O)c1)N1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)C1
InChIInChI=1S/C26H24N6O4S2/c33-19-6-1-4-17(14-19)23-24(32-12-13-37-26(32)30-23)22-9-10-27-25(29-22)28-18-5-3-11-31(16-18)38(35,36)21-8-2-7-20(34)15-21/h1-2,4,6-10,12-15,18,33-34H,3,5,11,16H2,(H,27,28,29)/t18-/m1/s1
InChIKeyASXPJXXQFMMZEE-GOSISDBHSA-N
XLogP4.20
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 24759700) is 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is O=S(=O)(c1cccc(O)c1)N1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4sccn34)n2)C1.
What is the InChIKey of 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is ASXPJXXQFMMZEE-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N6O4S2/c33-19-6-1-4-17(14-19)23-24(32-12-13-37-26(32)30-23)22-9-10-27-25(29-22)28-18-5-3-11-31(16-18)38(35,36)21-8-2-7-20(34)15-21/h1-2,4,6-10,12-15,18,33-34H,3,5,11,16H2,(H,27,28,29)/t18-/m1/s1.
What are the key properties of 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 548.65 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 24759700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).