2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C15H17N3S — CID 15653274

IUPAC2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C15H17N3S/c1-2-3-5-10-14-17-18-11-13(16-15(18)19-14)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyADWQIWOHPVYSMA-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.19
Rot. Bonds5

About 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 15653274) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID15653274
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C15H17N3S/c1-2-3-5-10-14-17-18-11-13(16-15(18)19-14)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3
InChIKeyADWQIWOHPVYSMA-UHFFFAOYSA-N
XLogP4.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-pentyl-6-phenylimidazo[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-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
4-(2-Methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
CID 576560
2,6-Diphenylimidazo[2,1-b][1,3,4]thiadiazole
CID 867602
N,N-dimethyl-3-[3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 17590104
6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 641875
1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
3-(4-Tert-butylphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848736
6-Phenyl-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932337
6-(4-Methylphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936793
6-(3-Methylphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936863
6-(2-Methylphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937750
N,N-dimethyl-4-[3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 938542

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 15653274) is 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is CCCCCc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ADWQIWOHPVYSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-3-5-10-14-17-18-11-13(16-15(18)19-14)12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3.
What are the key properties of 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 271.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 15653274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).