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

C28H25ClN4O3S2 — CID 59408979

IUPAC3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](Nc2cccc(-c3c(-c4cccc(O)c4)nc4sccn34)c2)C1
InChIInChI=1S/C28H25ClN4O3S2/c29-21-9-11-25(12-10-21)38(35,36)32-13-3-7-23(18-32)30-22-6-1-5-20(16-22)27-26(19-4-2-8-24(34)17-19)31-28-33(27)14-15-37-28/h1-2,4-6,8-12,14-17,23,30,34H,3,7,13,18H2/t23-/m1/s1
InChIKeyPDXGDIGZBCQCBB-HSZRJFAPSA-N
MW565.12 g/mol
LogP6.35
Rot. Bonds6

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

3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 59408979) has the molecular formula C28H25ClN4O3S2 and a molecular weight of 565.12 g/mol. Its IUPAC name is 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
PubChem CID59408979
Molecular FormulaC28H25ClN4O3S2
Molecular Weight565.12 g/mol
Exact Mass564.11
IUPAC Name3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](Nc2cccc(-c3c(-c4cccc(O)c4)nc4sccn34)c2)C1
InChIInChI=1S/C28H25ClN4O3S2/c29-21-9-11-25(12-10-21)38(35,36)32-13-3-7-23(18-32)30-22-6-1-5-20(16-22)27-26(19-4-2-8-24(34)17-19)31-28-33(27)14-15-37-28/h1-2,4-6,8-12,14-17,23,30,34H,3,7,13,18H2/t23-/m1/s1
InChIKeyPDXGDIGZBCQCBB-HSZRJFAPSA-N
XLogP6.35
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.12
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]methanesulfonamide
CID 57463189
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
4-[6-(3-aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 57463152
N-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-[6-[4-(nitrosomethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 91556409
4-chloro-N-[2-[[4-[6-(3-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 167529818
ethyl 4-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzoate
CID 57463195
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3R)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 57463166
3-[5-[2-[[(3R)-1-methylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 71159632
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 57433727
N-[1-[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]piperidin-4-yl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
CID 143219806
[3-[5-[2-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenyl] dihydrogen phosphate
CID 59408983
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The IUPAC name of 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 59408979) is 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol.
What is the SMILES notation for 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The canonical SMILES for 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](Nc2cccc(-c3c(-c4cccc(O)c4)nc4sccn34)c2)C1.
What is the InChIKey of 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
The InChIKey is PDXGDIGZBCQCBB-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H25ClN4O3S2/c29-21-9-11-25(12-10-21)38(35,36)32-13-3-7-23(18-32)30-22-6-1-5-20(16-22)27-26(19-4-2-8-24(34)17-19)31-28-33(27)14-15-37-28/h1-2,4-6,8-12,14-17,23,30,34H,3,7,13,18H2/t23-/m1/s1.
What are the key properties of 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol?
3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 565.12 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 59408979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).