N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C16H26N6S — CID 122139089

IUPACN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCC[C@@H](CN(C)c2nc(C)ns2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H26N6S/c1-5-22-8-6-7-13(15(22)14-9-17-21(4)11-14)10-20(3)16-18-12(2)19-23-16/h9,11,13,15H,5-8,10H2,1-4H3/t13-,15+/m0/s1
InChIKeyAUAXUFQNGYUUBV-DZGCQCFKSA-N
MW334.49 g/mol
LogP2.49
Rot. Bonds5

About N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 122139089) has the molecular formula C16H26N6S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID122139089
Molecular FormulaC16H26N6S
Molecular Weight334.49 g/mol
Exact Mass334.19
IUPAC NameN-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCCN1CCC[C@@H](CN(C)c2nc(C)ns2)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H26N6S/c1-5-22-8-6-7-13(15(22)14-9-17-21(4)11-14)10-20(3)16-18-12(2)19-23-16/h9,11,13,15H,5-8,10H2,1-4H3/t13-,15+/m0/s1
InChIKeyAUAXUFQNGYUUBV-DZGCQCFKSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 122139089) is N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is CCN1CCC[C@@H](CN(C)c2nc(C)ns2)[C@@H]1c1cnn(C)c1.
What is the InChIKey of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is AUAXUFQNGYUUBV-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H26N6S/c1-5-22-8-6-7-13(15(22)14-9-17-21(4)11-14)10-20(3)16-18-12(2)19-23-16/h9,11,13,15H,5-8,10H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 334.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 122139089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).