[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine

C13H21N7S — CID 136836621

IUPAC[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCCc1nnsc1-c1nc(N2CCC(C)(CN)CC2)n[nH]1
InChIInChI=1S/C13H21N7S/c1-3-9-10(21-19-16-9)11-15-12(18-17-11)20-6-4-13(2,8-14)5-7-20/h3-8,14H2,1-2H3,(H,15,17,18)
InChIKeySYTTUWCZOKDPFP-UHFFFAOYSA-N
MW307.43 g/mol
LogP1.45
Rot. Bonds4

About [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine

[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 136836621) has the molecular formula C13H21N7S and a molecular weight of 307.43 g/mol. Its IUPAC name is [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID136836621
Molecular FormulaC13H21N7S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCCc1nnsc1-c1nc(N2CCC(C)(CN)CC2)n[nH]1
InChIInChI=1S/C13H21N7S/c1-3-9-10(21-19-16-9)11-15-12(18-17-11)20-6-4-13(2,8-14)5-7-20/h3-8,14H2,1-2H3,(H,15,17,18)
InChIKeySYTTUWCZOKDPFP-UHFFFAOYSA-N
XLogP1.45
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
[1-[5-(5-bromo-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800873
[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800983
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800974
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
5-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-4-methylthiadiazole
CID 136836456
[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800962
[1-[5-(3-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperidin-3-yl]methanamine
CID 102799525
4-tert-butyl-5-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)thiadiazole
CID 136758223
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160463

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine (CID 136836621) is [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine is CCc1nnsc1-c1nc(N2CCC(C)(CN)CC2)n[nH]1.
What is the InChIKey of [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is SYTTUWCZOKDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7S/c1-3-9-10(21-19-16-9)11-15-12(18-17-11)20-6-4-13(2,8-14)5-7-20/h3-8,14H2,1-2H3,(H,15,17,18).
What are the key properties of [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 307.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 136836621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).