5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 126987043

IUPAC5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NC2CCC2)s1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8-12-13-9(14-8)11-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFKECDPXZMUXLJX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.80
Rot. Bonds2

About 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine (PubChem CID 126987043) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine
PubChem CID126987043
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)c1nnc(NC2CCC2)s1
InChIInChI=1S/C10H17N3S/c1-10(2,3)8-12-13-9(14-8)11-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyFKECDPXZMUXLJX-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-N-neopentylamine
CID 2798093
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-(3-methylcyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449765
N-(2,2-dimethylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 2798094
5-tert-butyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 20356529
5-tert-butyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 57785329
N-propan-2-yl-5-propyl-1,3,4-thiadiazol-2-amine
CID 58189983
5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 58337010
N,5-ditert-butyl-1,3,4-thiadiazol-2-amine
CID 59843275
N-butan-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 60650873
5-propan-2-yl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65674712

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine (CID 126987043) is 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine is CC(C)(C)c1nnc(NC2CCC2)s1.
What is the InChIKey of 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FKECDPXZMUXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2,3)8-12-13-9(14-8)11-7-5-4-6-7/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclobutyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126987043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).