5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole

C11H18N4S — CID 115314602

IUPAC5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)15-6-5-8-3-4-9(7-15)12-8/h8-9,12H,2-7H2,1H3
InChIKeyXBBFACULUALYGO-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.43
Rot. Bonds2

About 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole

5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 115314602) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID115314602
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC3CCC(C2)N3)n1
InChIInChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)15-6-5-8-3-4-9(7-15)12-8/h8-9,12H,2-7H2,1H3
InChIKeyXBBFACULUALYGO-UHFFFAOYSA-N
XLogP1.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133480716
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
CID 66213193
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
CID 124889064
3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 167763654

Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole (CID 115314602) is 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCC3CCC(C2)N3)n1.
What is the InChIKey of 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is XBBFACULUALYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-2-10-13-11(16-14-10)15-6-5-8-3-4-9(7-15)12-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole?
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 238.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 115314602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).