5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 107647759

IUPAC5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC(C)N(C)CC2C)s1
InChIInChI=1S/C12H22N4S/c1-5-11-14-15-12(17-11)13-10-6-9(3)16(4)7-8(10)2/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyKAKIWNCTRZTLOD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.24
Rot. Bonds3

About 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647759) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107647759
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC(C)N(C)CC2C)s1
InChIInChI=1S/C12H22N4S/c1-5-11-14-15-12(17-11)13-10-6-9(3)16(4)7-8(10)2/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyKAKIWNCTRZTLOD-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 107647759) is 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CC(C)N(C)CC2C)s1.
What is the InChIKey of 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KAKIWNCTRZTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-5-11-14-15-12(17-11)13-10-6-9(3)16(4)7-8(10)2/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1,2,5-trimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).