2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C17H20N4O3S — CID 67334724

IUPAC2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCOc1ccc(-c2nn3c(NC4CCOCC4)cnc3s2)cc1OC
InChIInChI=1S/C17H20N4O3S/c1-22-13-4-3-11(9-14(13)23-2)16-20-21-15(10-18-17(21)25-16)19-12-5-7-24-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3
InChIKeyJRNUZJGZJZOYAB-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.07
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 67334724) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID67334724
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCOc1ccc(-c2nn3c(NC4CCOCC4)cnc3s2)cc1OC
InChIInChI=1S/C17H20N4O3S/c1-22-13-4-3-11(9-14(13)23-2)16-20-21-15(10-18-17(21)25-16)19-12-5-7-24-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3
InChIKeyJRNUZJGZJZOYAB-UHFFFAOYSA-N
XLogP3.07
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Methoxy-4-[2-(tetrahydropyran-4-ylmethyl-amino)imidazo [2,1-b][1,3,4] thiadiazo-5-yl]phenol
CID 58285395
5-(3,4-dimethoxy-phenyl)-N-(4-pyridylmethyl) imidazo[2,1-b] [1,3,4]thiadiazol-2-amine
CID 58285376
5-(3,4-dimethoxy-phenyl)-N-[2-(4-pyridyl) ethyl]imidazo [2,1-b][1,3,4] thiadiazol-2-amine
CID 58285414
3-[[5-(3,4-Dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propan-1-ol
CID 58285508
2-Amino-5-[2-(3,4-dimethoxy-phenyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-nicotinonitrile
CID 46941128
5-[2-(3,4-Dimethoxy-phenyl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-pyridine-2-carbonitrile
CID 66716849
2-(3,4-Dimethoxy-phenyl)-5-[6-(4-methyl-piperazin-1-yl)-5-trifluoromethyl-pyridin-3-yl]-imidazo[2,1-b][1,3,4]thiadiazole
CID 66716981
5-{2-[3-Methoxy-4-(piperidin-4-yloxy)-phenyl]-imidazo[2,1-b][1,3,4]thiadiazol-5-yl}-pyrimidin-2-ylamine
CID 67283910
6-(3,4-Diethoxyphenyl)-3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 25239884
2-(3,4-Dimethoxy-phenyl)-5-(6-methoxy-pyridin-3-yl)-6-methyl-imidazo[2,1-b][1,3,4]thiadiazole
CID 46941036
4-[[5-(3,4-Dimethoxyphenyl) imidazo[2,1-b] [1,3,4]thiadiazol-2-yl]amino] cyclohexanol
CID 58285398
3-[2-(3,4-Dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]aniline
CID 122187553

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 67334724) is 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is COc1ccc(-c2nn3c(NC4CCOCC4)cnc3s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is JRNUZJGZJZOYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-22-13-4-3-11(9-14(13)23-2)16-20-21-15(10-18-17(21)25-16)19-12-5-7-24-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 360.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 67334724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).