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

C17H22N4OS — CID 53084442

IUPACcyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C17H22N4OS/c22-16(13-5-2-1-3-6-13)20-9-11-21(12-10-20)17-19-14-7-4-8-18-15(14)23-17/h4,7-8,13H,1-3,5-6,9-12H2
InChIKeyOIVKUQGTDLQPCG-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.92
Rot. Bonds2

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

cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 53084442) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID53084442
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Namecyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C17H22N4OS/c22-16(13-5-2-1-3-6-13)20-9-11-21(12-10-20)17-19-14-7-4-8-18-15(14)23-17/h4,7-8,13H,1-3,5-6,9-12H2
InChIKeyOIVKUQGTDLQPCG-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135
(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535706
[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
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551295
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
(4-cyclopentyloxy-3-methoxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535689
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952090
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 53084442) is cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is OIVKUQGTDLQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-16(13-5-2-1-3-6-13)20-9-11-21(12-10-20)17-19-14-7-4-8-18-15(14)23-17/h4,7-8,13H,1-3,5-6,9-12H2.
What are the key properties of cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53084442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).