[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone

C17H17FN4OS — CID 134798241

IUPAC[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(-c4ccc(F)cc4)sc3n2)CC1
InChIInChI=1S/C17H17FN4OS/c1-20-6-8-21(9-7-20)16(23)14-10-22-11-15(24-17(22)19-14)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyGKMSFXJMLVSOLH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.59
Rot. Bonds2

About [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone

[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134798241) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134798241
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cn3cc(-c4ccc(F)cc4)sc3n2)CC1
InChIInChI=1S/C17H17FN4OS/c1-20-6-8-21(9-7-20)16(23)14-10-22-11-15(24-17(22)19-14)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyGKMSFXJMLVSOLH-UHFFFAOYSA-N
XLogP2.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-prop-2-ynylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797117
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849857
[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 110647763
[2-(4-fluorophenyl)-3-[3-(hydroxymethyl)phenyl]quinoxalin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 169286573
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[6-(5-fluoro-2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 42876567
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
2-[(3S)-3-aminopiperidine-1-carbonyl]-6-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrazin-8-one
CID 70750282
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795851
[3-(4-fluorophenyl)-4-[(1S)-1-hydroxyethyl]-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100630826

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 134798241) is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cn3cc(-c4ccc(F)cc4)sc3n2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GKMSFXJMLVSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-20-6-8-21(9-7-20)16(23)14-10-22-11-15(24-17(22)19-14)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134798241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).