2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole

C11H18N2S — CID 139525452

IUPAC2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CC(C)(C)C1
InChIInChI=1S/C11H18N2S/c1-8(2)11(5-10(3,4)6-11)9-13-12-7-14-9/h7-8H,5-6H2,1-4H3
InChIKeyHCJXSYAKKLQCNC-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.25
Rot. Bonds2

About 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole

2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 139525452) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
PubChem CID139525452
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CC(C)(C)C1
InChIInChI=1S/C11H18N2S/c1-8(2)11(5-10(3,4)6-11)9-13-12-7-14-9/h7-8H,5-6H2,1-4H3
InChIKeyHCJXSYAKKLQCNC-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole (CID 139525452) is 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole is CC(C)C1(c2nncs2)CC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is HCJXSYAKKLQCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)11(5-10(3,4)6-11)9-13-12-7-14-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 210.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139525452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).