5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole

C10H15N3S — CID 127365522

IUPAC5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3C(C2)C3(C)C)n1
InChIInChI=1S/C10H15N3S/c1-6-11-9(14-12-6)13-4-7-8(5-13)10(7,2)3/h7-8H,4-5H2,1-3H3
InChIKeyCZSDMRAUZCHRBY-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.94
Rot. Bonds1

About 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole

5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 127365522) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID127365522
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CC3C(C2)C3(C)C)n1
InChIInChI=1S/C10H15N3S/c1-6-11-9(14-12-6)13-4-7-8(5-13)10(7,2)3/h7-8H,4-5H2,1-3H3
InChIKeyCZSDMRAUZCHRBY-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole (CID 127365522) is 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CC3C(C2)C3(C)C)n1.
What is the InChIKey of 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is CZSDMRAUZCHRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6-11-9(14-12-6)13-4-7-8(5-13)10(7,2)3/h7-8H,4-5H2,1-3H3.
What are the key properties of 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole?
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 209.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 127365522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).