1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

C10H17N3S — CID 155794992

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESCC(C)(C)c1nnc(C2(N)CCC2)s1
InChIInChI=1S/C10H17N3S/c1-9(2,3)7-12-13-8(14-7)10(11)5-4-6-10/h4-6,11H2,1-3H3
InChIKeyLASFLYCGDZMRTC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.17
Rot. Bonds1

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (PubChem CID 155794992) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
PubChem CID155794992
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESCC(C)(C)c1nnc(C2(N)CCC2)s1
InChIInChI=1S/C10H17N3S/c1-9(2,3)7-12-13-8(14-7)10(11)5-4-6-10/h4-6,11H2,1-3H3
InChIKeyLASFLYCGDZMRTC-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Tert-butyl-5-cyclobutyl-1,3,4-thiadiazole
CID 89878276
1-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 130545567
2-[1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutyl]guanidine
CID 156060785
1-(5-Cyclobutyl-1,3,4-thiadiazol-2-yl)-2-methylpropan-1-amine
CID 83639656
2-(5-Methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 130545468
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
CID 164653831

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (CID 155794992) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is CC(C)(C)c1nnc(C2(N)CCC2)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The InChIKey is LASFLYCGDZMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-9(2,3)7-12-13-8(14-7)10(11)5-4-6-10/h4-6,11H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 155794992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).