5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 80607629

IUPAC5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCC(C)C2C)s1
InChIInChI=1S/C12H22N4S/c1-4-13-12-15-14-11(17-12)8-16-7-5-6-9(2)10(16)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyYQWLPLPZGMKWLM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.59
Rot. Bonds4

About 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607629) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80607629
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCC(C)C2C)s1
InChIInChI=1S/C12H22N4S/c1-4-13-12-15-14-11(17-12)8-16-7-5-6-9(2)10(16)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyYQWLPLPZGMKWLM-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80607629) is 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCCC(C)C2C)s1.
What is the InChIKey of 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YQWLPLPZGMKWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-13-12-15-14-11(17-12)8-16-7-5-6-9(2)10(16)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).