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

C16H26N6S — CID 129006153

IUPAC3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C16H26N6S/c1-5-14-18-16(23-19-14)21(3)10-12-7-6-8-20(2)15(12)13-9-17-22(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1
InChIKeyRBAVAGFVSWHIFG-SWLSCSKDSA-N
MW334.49 g/mol
LogP2.35
Rot. Bonds5

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

3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 129006153) has the molecular formula C16H26N6S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID129006153
Molecular FormulaC16H26N6S
Molecular Weight334.49 g/mol
Exact Mass334.19
IUPAC Name3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C16H26N6S/c1-5-14-18-16(23-19-14)21(3)10-12-7-6-8-20(2)15(12)13-9-17-22(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1
InChIKeyRBAVAGFVSWHIFG-SWLSCSKDSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 129006153) is 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is RBAVAGFVSWHIFG-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H26N6S/c1-5-14-18-16(23-19-14)21(3)10-12-7-6-8-20(2)15(12)13-9-17-22(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 334.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129006153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).