(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone

C22H19FN4O3S — CID 5310375

IUPAC[4-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5
InChIInChI=1S/C22H19FN4O3S/c1-14-19(31-22-24-17(13-27(14)22)15-4-6-16(23)7-5-15)21(29)26-10-8-25(9-11-26)20(28)18-3-2-12-30-18/h2-7,12-13H,8-11H2,1H3
InChIKeyHJJMOBJKJOCSGF-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.10
Rot. Bonds3

About (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone

(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone (PubChem CID 5310375) has the molecular formula C22H19FN4O3S and a molecular weight of 438.50 g/mol. Its IUPAC name is [4-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
PubChem CID5310375
Molecular FormulaC22H19FN4O3S
Molecular Weight438.50 g/mol
Exact Mass438.12
IUPAC Name[4-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5
InChIInChI=1S/C22H19FN4O3S/c1-14-19(31-22-24-17(13-27(14)22)15-4-6-16(23)7-5-15)21(29)26-10-8-25(9-11-26)20(28)18-3-2-12-30-18/h2-7,12-13H,8-11H2,1H3
InChIKeyHJJMOBJKJOCSGF-UHFFFAOYSA-N
XLogP4.10
TPSA99.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity684

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
CID 25232347
ALP-POS-b0bc6a46-12
CID 156906941
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
6-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241138
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 5310418
(4-(4-Fluorophenyl)piperazin-1-yl)(6-(4-methoxyphenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methanone
CID 5310545
1-(2-Fluorophenyl)-4-[6-(4-methoxyphenyl)-3-methylimidazo[2,1-B][1,3]thiazole-2-carbonyl]piperazine
CID 5310585
N-(6-fluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032526
N-(3-(1H-imidazol-1-yl)propyl)-N-(4,5-dimethylbenzo[d]thiazol-2-yl)furan-2-carboxamide hydrochloride
CID 16824260
N-(3-(1H-imidazol-1-yl)propyl)-N-(4,7-dimethylbenzo[d]thiazol-2-yl)furan-2-carboxamide hydrochloride
CID 18589956

Frequently Asked Questions

What is the IUPAC name of (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone?
The IUPAC name of (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone (CID 5310375) is [4-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone?
The canonical SMILES for (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone is CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5.
What is the InChIKey of (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone?
The InChIKey is HJJMOBJKJOCSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-14-19(31-22-24-17(13-27(14)22)15-4-6-16(23)7-5-15)21(29)26-10-8-25(9-11-26)20(28)18-3-2-12-30-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone?
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone has a molecular weight of 438.50 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone is sourced from PubChem (CID 5310375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).