6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole

C17H21N3OS — CID 23608896

IUPAC6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1nn2cc(-c3ccccc3OCC)nc2s1
InChIInChI=1S/C17H21N3OS/c1-3-5-6-11-16-19-20-12-14(18-17(20)22-16)13-9-7-8-10-15(13)21-4-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyCSGONGMEOWGGSG-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.59
Rot. Bonds7

About 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole

6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 23608896) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID23608896
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1nn2cc(-c3ccccc3OCC)nc2s1
InChIInChI=1S/C17H21N3OS/c1-3-5-6-11-16-19-20-12-14(18-17(20)22-16)13-9-7-8-10-15(13)21-4-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyCSGONGMEOWGGSG-UHFFFAOYSA-N
XLogP4.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Ethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936290
3-(2-Methoxyphenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1836241
2-(2-Propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole
CID 53234281
2-Methoxy-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 132051232
6-[4-(Difluoromethoxy)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051310
2-Methoxy-6-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051314
(3R,4R)-4-amino-1-[5-(4-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-ol
CID 156274125
[1-[5-(4-Fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-(methylsulfonylmethyl)piperidin-4-yl]methanamine
CID 156274141
(3S,4S)-3-amino-1-[5-(4-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol
CID 156274149
1-[4-(aminomethyl)-1-[5-(4-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-N,N-dimethylmethanesulfonamide
CID 156274150
9-[5-(4-Fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 156274154
[3-Amino-1-[5-(4-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-3-yl]methanol
CID 156274173

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole (CID 23608896) is 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole is CCCCCc1nn2cc(-c3ccccc3OCC)nc2s1.
What is the InChIKey of 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CSGONGMEOWGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-5-6-11-16-19-20-12-14(18-17(20)22-16)13-9-7-8-10-15(13)21-4-2/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole?
6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 315.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2-pentylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 23608896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).