[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

C19H20N4O4S2 — CID 121152221

IUPAC[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1
InChIInChI=1S/C19H20N4O4S2/c1-22-12-8-20-18(22)29(25,26)16-6-10-23(11-7-16)17(24)14-2-4-15(5-3-14)27-19-21-9-13-28-19/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyMXORPVZGCRXVJZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.75
Rot. Bonds5

About [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone

[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (PubChem CID 121152221) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
PubChem CID121152221
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1
InChIInChI=1S/C19H20N4O4S2/c1-22-12-8-20-18(22)29(25,26)16-6-10-23(11-7-16)17(24)14-2-4-15(5-3-14)27-19-21-9-13-28-19/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyMXORPVZGCRXVJZ-UHFFFAOYSA-N
XLogP2.75
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-cyclopropylidenepiperidin-1-yl)-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121187064
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150998
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 121151967
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
(4-propan-2-yloxyphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150357
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617849
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 10172198
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573531

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone (CID 121152221) is [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(Oc3nccs3)cc2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
The InChIKey is MXORPVZGCRXVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-22-12-8-20-18(22)29(25,26)16-6-10-23(11-7-16)17(24)14-2-4-15(5-3-14)27-19-21-9-13-28-19/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone?
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone has a molecular weight of 432.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone is sourced from PubChem (CID 121152221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).