2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole

C12H21N3S — CID 131928762

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCCC1(C)CCN(Cc2nnc(C)s2)CC1
InChIInChI=1S/C12H21N3S/c1-4-12(3)5-7-15(8-6-12)9-11-14-13-10(2)16-11/h4-9H2,1-3H3
InChIKeyQUYVQRVUNKEUNX-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.86
Rot. Bonds3

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 131928762) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
PubChem CID131928762
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
SMILESCCC1(C)CCN(Cc2nnc(C)s2)CC1
InChIInChI=1S/C12H21N3S/c1-4-12(3)5-7-15(8-6-12)9-11-14-13-10(2)16-11/h4-9H2,1-3H3
InChIKeyQUYVQRVUNKEUNX-UHFFFAOYSA-N
XLogP2.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole (CID 131928762) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is CCC1(C)CCN(Cc2nnc(C)s2)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is QUYVQRVUNKEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-12(3)5-7-15(8-6-12)9-11-14-13-10(2)16-11/h4-9H2,1-3H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 239.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 131928762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).