2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole

C15H26N4S — CID 72924935

IUPAC2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole
SMILESCCCN1C[C@H]2CC[C@@H]1CN(c1nnc(C(C)C)s1)C2
InChIInChI=1S/C15H26N4S/c1-4-7-18-8-12-5-6-13(18)10-19(9-12)15-17-16-14(20-15)11(2)3/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyCPCDFXNOCWWKIF-CHWSQXEVSA-N
MW294.47 g/mol
LogP2.97
Rot. Bonds4

About 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole

2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole (PubChem CID 72924935) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole
PubChem CID72924935
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole
SMILESCCCN1C[C@H]2CC[C@@H]1CN(c1nnc(C(C)C)s1)C2
InChIInChI=1S/C15H26N4S/c1-4-7-18-8-12-5-6-13(18)10-19(9-12)15-17-16-14(20-15)11(2)3/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKeyCPCDFXNOCWWKIF-CHWSQXEVSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole (CID 72924935) is 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole is CCCN1C[C@H]2CC[C@@H]1CN(c1nnc(C(C)C)s1)C2.
What is the InChIKey of 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole?
The InChIKey is CPCDFXNOCWWKIF-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N4S/c1-4-7-18-8-12-5-6-13(18)10-19(9-12)15-17-16-14(20-15)11(2)3/h11-13H,4-10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole?
2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole has a molecular weight of 294.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 72924935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).