6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H22N4OS — CID 133390432

IUPAC6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCCC3=CCOCC3)sc2n1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)12-10-19-14(17-12)21-13(18-19)16-7-4-11-5-8-20-9-6-11/h5,10H,4,6-9H2,1-3H3,(H,16,18)
InChIKeyXQQFHTUPTAZFHP-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.24
Rot. Bonds4

About 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133390432) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133390432
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCCC3=CCOCC3)sc2n1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)12-10-19-14(17-12)21-13(18-19)16-7-4-11-5-8-20-9-6-11/h5,10H,4,6-9H2,1-3H3,(H,16,18)
InChIKeyXQQFHTUPTAZFHP-UHFFFAOYSA-N
XLogP3.24
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
6-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366326
6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133281812
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366228
methyl 4-chloro-2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 133390548
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133271850
6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55544673
N-[2-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 133387752
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-phenyl-1,3-thiazol-2-amine
CID 133390475
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462019
2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133390554

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133390432) is 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NCCC3=CCOCC3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is XQQFHTUPTAZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-15(2,3)12-10-19-14(17-12)21-13(18-19)16-7-4-11-5-8-20-9-6-11/h5,10H,4,6-9H2,1-3H3,(H,16,18).
What are the key properties of 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 306.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133390432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).