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

C13H20N4S — CID 71924188

IUPAC3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCN1C2CCC1CN(c1nc(C3CC3)ns1)CC2
InChIInChI=1S/C13H20N4S/c1-16-10-4-5-11(16)8-17(7-6-10)13-14-12(15-18-13)9-2-3-9/h9-11H,2-8H2,1H3
InChIKeyKDUHLKHTXCYPQQ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.09
Rot. Bonds2

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

3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (PubChem CID 71924188) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
PubChem CID71924188
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCN1C2CCC1CN(c1nc(C3CC3)ns1)CC2
InChIInChI=1S/C13H20N4S/c1-16-10-4-5-11(16)8-17(7-6-10)13-14-12(15-18-13)9-2-3-9/h9-11H,2-8H2,1H3
InChIKeyKDUHLKHTXCYPQQ-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Cyclopropyl-5-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 71861526
3-Cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 71924245
3-Ethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71861523
3-Propan-2-yl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
CID 71924184
3-methyl-5-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]-1,2,4-thiadiazole
CID 99811991
3-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65270397
3-cyclopropyl-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277118
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-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 71924189
3-Cyclopropyl-5-(4-ethyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 71924213

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (CID 71924188) is 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is CN1C2CCC1CN(c1nc(C3CC3)ns1)CC2.
What is the InChIKey of 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The InChIKey is KDUHLKHTXCYPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-16-10-4-5-11(16)8-17(7-6-10)13-14-12(15-18-13)9-2-3-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole has a molecular weight of 264.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71924188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).