N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine

C14H25N5S — CID 133287378

IUPACN'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C14H25N5S/c1-13(2,3)10-9-19-12(17-10)20-11(18-19)15-7-8-16-14(4,5)6/h9,16H,7-8H2,1-6H3,(H,15,18)
InChIKeyKBPGIXVFMKLKTQ-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.89
Rot. Bonds4

About N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine

N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine (PubChem CID 133287378) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
PubChem CID133287378
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC NameN'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1nn2cc(C(C)(C)C)nc2s1
InChIInChI=1S/C14H25N5S/c1-13(2,3)10-9-19-12(17-10)20-11(18-19)15-7-8-16-14(4,5)6/h9,16H,7-8H2,1-6H3,(H,15,18)
InChIKeyKBPGIXVFMKLKTQ-UHFFFAOYSA-N
XLogP2.89
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-[2-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 133387752
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
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
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314722
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 51932499
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol
CID 133272559
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400
6-tert-butyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133367401
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366228

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine (CID 133287378) is N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine is CC(C)(C)NCCNc1nn2cc(C(C)(C)C)nc2s1.
What is the InChIKey of N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine?
The InChIKey is KBPGIXVFMKLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-13(2,3)10-9-19-12(17-10)20-11(18-19)15-7-8-16-14(4,5)6/h9,16H,7-8H2,1-6H3,(H,15,18).
What are the key properties of N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine has a molecular weight of 295.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 133287378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).