6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H24N6OS — CID 133367144

IUPAC6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCc1nc(C(Nc2nn3cc(C(C)(C)C)nc3s2)c2ccccc2)no1
InChIInChI=1S/C20H24N6OS/c1-5-9-15-22-17(25-27-15)16(13-10-7-6-8-11-13)23-18-24-26-12-14(20(2,3)4)21-19(26)28-18/h6-8,10-12,16H,5,9H2,1-4H3,(H,23,24)
InChIKeyREOXOTIISIFBHA-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.63
Rot. Bonds6

About 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133367144) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133367144
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCc1nc(C(Nc2nn3cc(C(C)(C)C)nc3s2)c2ccccc2)no1
InChIInChI=1S/C20H24N6OS/c1-5-9-15-22-17(25-27-15)16(13-10-7-6-8-11-13)23-18-24-26-12-14(20(2,3)4)21-19(26)28-18/h6-8,10-12,16H,5,9H2,1-4H3,(H,23,24)
InChIKeyREOXOTIISIFBHA-UHFFFAOYSA-N
XLogP4.63
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(S)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 97047933
3-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-phenylbutan-2-ol
CID 133400215
N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133367053
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
N-[(R)-phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97321279
(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
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
(1S)-N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 51932503
6-tert-butyl-N-[1-(oxan-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366228
6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133327141
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-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97191737

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133367144) is 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CCCc1nc(C(Nc2nn3cc(C(C)(C)C)nc3s2)c2ccccc2)no1.
What is the InChIKey of 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is REOXOTIISIFBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-5-9-15-22-17(25-27-15)16(13-10-7-6-8-11-13)23-18-24-26-12-14(20(2,3)4)21-19(26)28-18/h6-8,10-12,16H,5,9H2,1-4H3,(H,23,24).
What are the key properties of 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 396.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133367144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).