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

C11H17N3S — CID 176692823

IUPAC2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2C3CN(C(C)C)CC32)s1
InChIInChI=1S/C11H17N3S/c1-6(2)14-4-8-9(5-14)10(8)11-13-12-7(3)15-11/h6,8-10H,4-5H2,1-3H3
InChIKeyMFXGJQNQEMQGJA-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.90
Rot. Bonds2

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

2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole (PubChem CID 176692823) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole
PubChem CID176692823
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2C3CN(C(C)C)CC32)s1
InChIInChI=1S/C11H17N3S/c1-6(2)14-4-8-9(5-14)10(8)11-13-12-7(3)15-11/h6,8-10H,4-5H2,1-3H3
InChIKeyMFXGJQNQEMQGJA-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole (CID 176692823) is 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole is Cc1nnc(C2C3CN(C(C)C)CC32)s1.
What is the InChIKey of 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole?
The InChIKey is MFXGJQNQEMQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-6(2)14-4-8-9(5-14)10(8)11-13-12-7(3)15-11/h6,8-10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole?
2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole has a molecular weight of 223.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 176692823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).