[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone

C18H22N6O2S — CID 110217501

IUPAC[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCCC2c2nnc(-c3scnc3C)o2)cn1
InChIInChI=1S/C18H22N6O2S/c1-3-7-23-10-13(9-20-23)18(25)24-8-5-4-6-14(24)16-21-22-17(26-16)15-12(2)19-11-27-15/h9-11,14H,3-8H2,1-2H3
InChIKeyMRGBGROSRIWDIM-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.48
Rot. Bonds5

About [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone

[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone (PubChem CID 110217501) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
PubChem CID110217501
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCCC2c2nnc(-c3scnc3C)o2)cn1
InChIInChI=1S/C18H22N6O2S/c1-3-7-23-10-13(9-20-23)18(25)24-8-5-4-6-14(24)16-21-22-17(26-16)15-12(2)19-11-27-15/h9-11,14H,3-8H2,1-2H3
InChIKeyMRGBGROSRIWDIM-UHFFFAOYSA-N
XLogP3.48
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2-fluorophenyl)-[(2R)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 92598801
2-(2-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217600
2-(4-fluorophenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92598778
2-(3-methylphenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560668
2-(3-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217599
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110259105
2-(1-cyclohexylsulfonylpyrrolidin-2-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110217624
(5-ethylthiophen-3-yl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 155900871
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
CID 110217514
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761

Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone (CID 110217501) is [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCCCC2c2nnc(-c3scnc3C)o2)cn1.
What is the InChIKey of [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
The InChIKey is MRGBGROSRIWDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-3-7-23-10-13(9-20-23)18(25)24-8-5-4-6-14(24)16-21-22-17(26-16)15-12(2)19-11-27-15/h9-11,14H,3-8H2,1-2H3.
What are the key properties of [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone?
[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone has a molecular weight of 386.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 110217501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).