N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H21N5O2S — CID 51100554

IUPACN-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-3-12-18-13(22-19-12)8-20-6-4-11(5-7-20)17-15(21)14-10(2)16-9-23-14/h9,11H,3-8H2,1-2H3,(H,17,21)
InChIKeyVWNURKJBFDNFDC-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.79
Rot. Bonds5

About N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51100554) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51100554
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-3-12-18-13(22-19-12)8-20-6-4-11(5-7-20)17-15(21)14-10(2)16-9-23-14/h9,11H,3-8H2,1-2H3,(H,17,21)
InChIKeyVWNURKJBFDNFDC-UHFFFAOYSA-N
XLogP1.79
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448670
N-[1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)propanoyl]azepan-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110248469
N-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449071
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
5-methyl-N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 51097256
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60607390
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63903585
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449075
4-methyl-N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 56549537

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51100554) is N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1noc(CN2CCC(NC(=O)c3scnc3C)CC2)n1.
What is the InChIKey of N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VWNURKJBFDNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-12-18-13(22-19-12)8-20-6-4-11(5-7-20)17-15(21)14-10(2)16-9-23-14/h9,11H,3-8H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51100554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).