5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole

C11H17N3S — CID 14763567

IUPAC5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc([C@H]2CN3CC[C@H]2C3)n1
InChIInChI=1S/C11H17N3S/c1-7(2)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyGFMPVNCSAQXQBT-IUCAKERBSA-N
MW223.34 g/mol
LogP2.08
Rot. Bonds2

About 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 14763567) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID14763567
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc([C@H]2CN3CC[C@H]2C3)n1
InChIInChI=1S/C11H17N3S/c1-7(2)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyGFMPVNCSAQXQBT-IUCAKERBSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71451006
(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750216
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976770
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
CID 19018574
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]propan-1-amine
CID 65279975

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 14763567) is 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc([C@H]2CN3CC[C@H]2C3)n1.
What is the InChIKey of 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is GFMPVNCSAQXQBT-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)10-12-11(15-13-10)9-6-14-4-3-8(9)5-14/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 223.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 14763567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).