N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C15H19N5O5S2 — CID 154581936

IUPACN-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cnc(OC2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)nc1
InChIInChI=1S/C15H19N5O5S2/c1-10(21)19-15-18-9-13(26-15)27(22,23)20-5-3-11(4-6-20)25-14-16-7-12(24-2)8-17-14/h7-9,11H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyQTXOMMNOSJCKSM-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.13
Rot. Bonds6

About N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 154581936) has the molecular formula C15H19N5O5S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID154581936
Molecular FormulaC15H19N5O5S2
Molecular Weight413.48 g/mol
Exact Mass413.08
IUPAC NameN-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cnc(OC2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)nc1
InChIInChI=1S/C15H19N5O5S2/c1-10(21)19-15-18-9-13(26-15)27(22,23)20-5-3-11(4-6-20)25-14-16-7-12(24-2)8-17-14/h7-9,11H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyQTXOMMNOSJCKSM-UHFFFAOYSA-N
XLogP1.13
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560681
N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560676
N-[5-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122267205
N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 126850994
N-[5-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 46969512
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane
CID 87602795
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
N-[5-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122338917
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 154581936) is N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is COc1cnc(OC2CCN(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2)nc1.
What is the InChIKey of N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is QTXOMMNOSJCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5S2/c1-10(21)19-15-18-9-13(26-15)27(22,23)20-5-3-11(4-6-20)25-14-16-7-12(24-2)8-17-14/h7-9,11H,3-6H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154581936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).