4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol

C17H16N4O2S — CID 44816263

IUPAC4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc3sc(NCc4ccco4)nn23)cc(C)c1O
InChIInChI=1S/C17H16N4O2S/c1-10-6-12(7-11(2)15(10)22)14-9-19-17-21(14)20-16(24-17)18-8-13-4-3-5-23-13/h3-7,9,22H,8H2,1-2H3,(H,18,20)
InChIKeyLLKIZECKWXVXTN-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.99
Rot. Bonds4

About 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol

4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol (PubChem CID 44816263) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol
PubChem CID44816263
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc3sc(NCc4ccco4)nn23)cc(C)c1O
InChIInChI=1S/C17H16N4O2S/c1-10-6-12(7-11(2)15(10)22)14-9-19-17-21(14)20-16(24-17)18-8-13-4-3-5-23-13/h3-7,9,22H,8H2,1-2H3,(H,18,20)
InChIKeyLLKIZECKWXVXTN-UHFFFAOYSA-N
XLogP3.99
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol with MolForge

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Related Compounds

N-[(2-methylphenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285576
3-[3-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857835
N-benzyl-5-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285635
N-(furan-2-ylmethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221006
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
N-(2-methylpropyl)-5-naphthalen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285483
(E)-3-[4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enoic acid
CID 67337005
ethyl 4-(furan-2-ylmethylamino)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 16801946
N-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285415
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285628

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol (CID 44816263) is 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol is Cc1cc(-c2cnc3sc(NCc4ccco4)nn23)cc(C)c1O.
What is the InChIKey of 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol?
The InChIKey is LLKIZECKWXVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-6-12(7-11(2)15(10)22)14-9-19-17-21(14)20-16(24-17)18-8-13-4-3-5-23-13/h3-7,9,22H,8H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol?
4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol has a molecular weight of 340.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol is sourced from PubChem (CID 44816263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).