(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

C17H23N5O3S2 — CID 56535706

IUPAC(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)C1
InChIInChI=1S/C17H23N5O3S2/c1-27(24,25)22-7-3-4-13(12-22)16(23)20-8-10-21(11-9-20)17-19-14-5-2-6-18-15(14)26-17/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyHCNHZJHFTRPGEX-UHFFFAOYSA-N
MW409.54 g/mol
LogP1.01
Rot. Bonds3

About (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 56535706) has the molecular formula C17H23N5O3S2 and a molecular weight of 409.54 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID56535706
Molecular FormulaC17H23N5O3S2
Molecular Weight409.54 g/mol
Exact Mass409.12
IUPAC Name(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)C1
InChIInChI=1S/C17H23N5O3S2/c1-27(24,25)22-7-3-4-13(12-22)16(23)20-8-10-21(11-9-20)17-19-14-5-2-6-18-15(14)26-17/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyHCNHZJHFTRPGEX-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
1-(4-cyclohexylpiperazin-1-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 53084531
[3-(methylsulfonylmethyl)phenyl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535555
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7029150
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-amine
CID 102549121
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134050436
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551295

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 56535706) is (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is CS(=O)(=O)N1CCCC(C(=O)N2CCN(c3nc4cccnc4s3)CC2)C1.
What is the InChIKey of (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HCNHZJHFTRPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S2/c1-27(24,25)22-7-3-4-13(12-22)16(23)20-8-10-21(11-9-20)17-19-14-5-2-6-18-15(14)26-17/h2,5-6,13H,3-4,7-12H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 409.54 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56535706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).