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

C18H24FN5S — CID 55854063

IUPACN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1cccc(F)c1
InChIInChI=1S/C18H24FN5S/c1-18(2,3)15-11-24-17(21-15)25-16(22-24)20-10-14(23(4)5)12-7-6-8-13(19)9-12/h6-9,11,14H,10H2,1-5H3,(H,20,22)
InChIKeyGKOQEGLNMVLPGC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.94
Rot. Bonds5

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

N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 55854063) has the molecular formula C18H24FN5S and a molecular weight of 361.49 g/mol. Its IUPAC name is N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID55854063
Molecular FormulaC18H24FN5S
Molecular Weight361.49 g/mol
Exact Mass361.17
IUPAC NameN'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1cccc(F)c1
InChIInChI=1S/C18H24FN5S/c1-18(2,3)15-11-24-17(21-15)25-16(22-24)20-10-14(23(4)5)12-7-6-8-13(19)9-12/h6-9,11,14H,10H2,1-5H3,(H,20,22)
InChIKeyGKOQEGLNMVLPGC-UHFFFAOYSA-N
XLogP3.94
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (CID 55854063) is N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-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-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNc1nn2cc(C(C)(C)C)nc2s1)c1cccc(F)c1.
What is the InChIKey of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is GKOQEGLNMVLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5S/c1-18(2,3)15-11-24-17(21-15)25-16(22-24)20-10-14(23(4)5)12-7-6-8-13(19)9-12/h6-9,11,14H,10H2,1-5H3,(H,20,22).
What are the key properties of N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 361.49 g/mol, XLogP of 3.94, 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-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 55854063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).