N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine

C12H22N4S — CID 55046378

IUPACN-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCC(CC)CC1
InChIInChI=1S/C12H22N4S/c1-3-10-5-7-16(8-6-10)9-11-12(13-4-2)17-15-14-11/h10,13H,3-9H2,1-2H3
InChIKeySBSJJLVHNXNFGH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine

N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 55046378) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
PubChem CID55046378
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCC(CC)CC1
InChIInChI=1S/C12H22N4S/c1-3-10-5-7-16(8-6-10)9-11-12(13-4-2)17-15-14-11/h10,13H,3-9H2,1-2H3
InChIKeySBSJJLVHNXNFGH-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine (CID 55046378) is N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCC(CC)CC1.
What is the InChIKey of N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is SBSJJLVHNXNFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-10-5-7-16(8-6-10)9-11-12(13-4-2)17-15-14-11/h10,13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 55046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).