1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone

C15H16N4OS — CID 67221150

IUPAC1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
SMILESCCCNc1nn2cc(-c3cccc(C(C)=O)c3)nc2s1
InChIInChI=1S/C15H16N4OS/c1-3-7-16-14-18-19-9-13(17-15(19)21-14)12-6-4-5-11(8-12)10(2)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)
InChIKeyHMYNCYKZICSENZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.48
Rot. Bonds5

About 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone

1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone (PubChem CID 67221150) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
PubChem CID67221150
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
SMILESCCCNc1nn2cc(-c3cccc(C(C)=O)c3)nc2s1
InChIInChI=1S/C15H16N4OS/c1-3-7-16-14-18-19-9-13(17-15(19)21-14)12-6-4-5-11(8-12)10(2)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,18)
InChIKeyHMYNCYKZICSENZ-UHFFFAOYSA-N
XLogP3.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 641875
3-[2-(isobutylamino) imidazo[2,1-d] [1,3,4]thiadiazol-5-yl]-N,N-dimethyl-benzamide
CID 58285836
N-ethyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 16020747
N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)cyclobutanecarboxamide
CID 17391797
N,N,2,2-tetramethyl-N'-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)propane-1,3-diamine
CID 25330374
2,7-Dimethyl-5-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)isoquinolin-1-one
CID 164620157
4-[5-(4-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 168896278
4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 169730662
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzamide
CID 171357815
3-[2-[(4-fluorophenyl) methylamino] imidazo[2,1-b] [1,3,4]thiadiazol-5-yl]-N,N-dimethyl-benzamide
CID 58285735
1-[3-[2-[(4-Hydroxycyclo-hexyl)amino] imidazo[2,1-a] [1,3,4]thiadiazol-5-yl]phenyl] ethanone
CID 58285444
N,N-dimethyl-3-[2-[2-(4-pyridyl)ethyl-amino]imidazo [2,1-b][1,3,4] thiadiazol-5-yl]benzamide
CID 58285486

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone (CID 67221150) is 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone is CCCNc1nn2cc(-c3cccc(C(C)=O)c3)nc2s1.
What is the InChIKey of 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone?
The InChIKey is HMYNCYKZICSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-7-16-14-18-19-9-13(17-15(19)21-14)12-6-4-5-11(8-12)10(2)20/h4-6,8-9H,3,7H2,1-2H3,(H,16,18).
What are the key properties of 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone?
1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone has a molecular weight of 300.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone is sourced from PubChem (CID 67221150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).