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

C23H21FN4O2S — CID 42269956

IUPAC[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1
InChIInChI=1S/C23H21FN4O2S/c1-30-21-5-3-2-4-19(21)26-10-12-27(13-11-26)22(29)20-15-31-23-25-18(14-28(20)23)16-6-8-17(24)9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyALYDHVGRTWRBGE-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.17
Rot. Bonds4

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

[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 42269956) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID42269956
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Name[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1
InChIInChI=1S/C23H21FN4O2S/c1-30-21-5-3-2-4-19(21)26-10-12-27(13-11-26)22(29)20-15-31-23-25-18(14-28(20)23)16-6-8-17(24)9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyALYDHVGRTWRBGE-UHFFFAOYSA-N
XLogP4.17
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 42269956) is [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1.
What is the InChIKey of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ALYDHVGRTWRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-30-21-5-3-2-4-19(21)26-10-12-27(13-11-26)22(29)20-15-31-23-25-18(14-28(20)23)16-6-8-17(24)9-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42269956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).