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

C9H14N2S — CID 139525082

IUPAC2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CCC1
InChIInChI=1S/C9H14N2S/c1-7(2)9(4-3-5-9)8-11-10-6-12-8/h6-7H,3-5H2,1-2H3
InChIKeyVFVYFDHEWMKHLY-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.62
Rot. Bonds2

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

2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole (PubChem CID 139525082) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
PubChem CID139525082
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole
SMILESCC(C)C1(c2nncs2)CCC1
InChIInChI=1S/C9H14N2S/c1-7(2)9(4-3-5-9)8-11-10-6-12-8/h6-7H,3-5H2,1-2H3
InChIKeyVFVYFDHEWMKHLY-UHFFFAOYSA-N
XLogP2.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole (CID 139525082) is 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole is CC(C)C1(c2nncs2)CCC1.
What is the InChIKey of 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
The InChIKey is VFVYFDHEWMKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(2)9(4-3-5-9)8-11-10-6-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole?
2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylcyclobutyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139525082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).