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

C15H26N4S — CID 71924184

IUPAC3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC3CCC(C2)N3C(C)C)n1
InChIInChI=1S/C15H26N4S/c1-10(2)14-16-15(20-17-14)18-8-7-12-5-6-13(9-18)19(12)11(3)4/h10-13H,5-9H2,1-4H3
InChIKeySCODDZKOAOOAQO-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.11
Rot. Bonds3

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

3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (PubChem CID 71924184) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
PubChem CID71924184
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC3CCC(C2)N3C(C)C)n1
InChIInChI=1S/C15H26N4S/c1-10(2)14-16-15(20-17-14)18-8-7-12-5-6-13(9-18)19(12)11(3)4/h10-13H,5-9H2,1-4H3
InChIKeySCODDZKOAOOAQO-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71861523
3-methyl-5-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]-1,2,4-thiadiazole
CID 99811991
3-ethyl-5-[(2S)-2-ethyl-4-methyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 164632064
3-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65270447
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277117
3-Ethyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71924185
3-Cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71924186
5-(9-Methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
CID 71924187
3-Cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71924188
3-Ethyl-5-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-thiadiazole
CID 71924215
3-Cyclopropyl-5-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-thiadiazole
CID 71924216
5-(9-Methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine
CID 79170289

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (CID 71924184) is 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is CC(C)c1nsc(N2CCC3CCC(C2)N3C(C)C)n1.
What is the InChIKey of 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The InChIKey is SCODDZKOAOOAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10(2)14-16-15(20-17-14)18-8-7-12-5-6-13(9-18)19(12)11(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole has a molecular weight of 294.47 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71924184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).