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

C14H21N5OS — CID 120752782

IUPAC[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc(C2CCCN(Cc3noc(CN)n3)C2)sc1C
InChIInChI=1S/C14H21N5OS/c1-9-10(2)21-14(16-9)11-4-3-5-19(7-11)8-12-17-13(6-15)20-18-12/h11H,3-8,15H2,1-2H3
InChIKeyIVAWDNDKPPWYKE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.98
Rot. Bonds4

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

[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752782) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752782
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1nc(C2CCCN(Cc3noc(CN)n3)C2)sc1C
InChIInChI=1S/C14H21N5OS/c1-9-10(2)21-14(16-9)11-4-3-5-19(7-11)8-12-17-13(6-15)20-18-12/h11H,3-8,15H2,1-2H3
InChIKeyIVAWDNDKPPWYKE-UHFFFAOYSA-N
XLogP1.98
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
[3-[[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752753
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751752
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 119932589
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120751652
[3-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752744
[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 114218062

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752782) is [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1nc(C2CCCN(Cc3noc(CN)n3)C2)sc1C.
What is the InChIKey of [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IVAWDNDKPPWYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9-10(2)21-14(16-9)11-4-3-5-19(7-11)8-12-17-13(6-15)20-18-12/h11H,3-8,15H2,1-2H3.
What are the key properties of [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 307.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).