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

C18H23F2N5S — CID 133314722

IUPACN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1c(F)cccc1F
InChIInChI=1S/C18H23F2N5S/c1-18(2,3)14-10-25-17(22-14)26-16(23-25)21-9-13(24(4)5)15-11(19)7-6-8-12(15)20/h6-8,10,13H,9H2,1-5H3,(H,21,23)
InChIKeyWJODLTYVAZBXMD-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds5

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

N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 133314722) has the molecular formula C18H23F2N5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID133314722
Molecular FormulaC18H23F2N5S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1c(F)cccc1F
InChIInChI=1S/C18H23F2N5S/c1-18(2,3)14-10-25-17(22-14)26-16(23-25)21-9-13(24(4)5)15-11(19)7-6-8-12(15)20/h6-8,10,13H,9H2,1-5H3,(H,21,23)
InChIKeyWJODLTYVAZBXMD-UHFFFAOYSA-N
XLogP4.08
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
N,N-dimethyl-N'-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 47018446
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482
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-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
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
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-[(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-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133327141
6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133281812

Frequently Asked Questions

What is the IUPAC name of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 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) is N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1c(F)cccc1F.
What is the InChIKey of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is WJODLTYVAZBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5S/c1-18(2,3)14-10-25-17(22-14)26-16(23-25)21-9-13(24(4)5)15-11(19)7-6-8-12(15)20/h6-8,10,13H,9H2,1-5H3,(H,21,23).
What are the key properties of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine?
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 379.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 133314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).