N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 66184116

IUPACN-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(C)(C)C)ns1)C1CNC1
InChIInChI=1S/C11H20N4S/c1-5-15(8-6-12-7-8)10-13-9(14-16-10)11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyUFRMPSJIKUAHSI-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.63
Rot. Bonds3

About N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine

N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 66184116) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID66184116
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCN(c1nc(C(C)(C)C)ns1)C1CNC1
InChIInChI=1S/C11H20N4S/c1-5-15(8-6-12-7-8)10-13-9(14-16-10)11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyUFRMPSJIKUAHSI-UHFFFAOYSA-N
XLogP1.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-3-cyclopropyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213937
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
CID 65270547
N-(azetidin-3-yl)-3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 66213928
N-(azetidin-3-yl)-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 66183911
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 133494506
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
CID 65272472
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106642183
N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 66214743
N-[(3-aminophenyl)methyl]-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65276181

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine (CID 66184116) is N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine is CCN(c1nc(C(C)(C)C)ns1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UFRMPSJIKUAHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-5-15(8-6-12-7-8)10-13-9(14-16-10)11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine?
N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66184116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).