[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C23H20FN9OS — CID 90626697

IUPAC[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H20FN9OS/c1-15-21(35-23-29-18(11-32(15)23)16-2-4-17(24)5-3-16)22(34)31-8-6-30(7-9-31)19-10-20(27-13-26-19)33-14-25-12-28-33/h2-5,10-14H,6-9H2,1H3
InChIKeyAKVKTTRFORVIGR-UHFFFAOYSA-N
MW489.54 g/mol
LogP2.84
Rot. Bonds4

About [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 90626697) has the molecular formula C23H20FN9OS and a molecular weight of 489.54 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID90626697
Molecular FormulaC23H20FN9OS
Molecular Weight489.54 g/mol
Exact Mass489.15
IUPAC Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C23H20FN9OS/c1-15-21(35-23-29-18(11-32(15)23)16-2-4-17(24)5-3-16)22(34)31-8-6-30(7-9-31)19-10-20(27-13-26-19)33-14-25-12-28-33/h2-5,10-14H,6-9H2,1H3
InChIKeyAKVKTTRFORVIGR-UHFFFAOYSA-N
XLogP2.84
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29312797
[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 90626680
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
(2-fluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626449
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626672
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 121031494
(2-ethoxynaphthalen-1-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626469
(6-methoxypyridazin-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626687
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
(6-ethoxy-3-pyridinyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626676
6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 74381335

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 90626697) is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is AKVKTTRFORVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN9OS/c1-15-21(35-23-29-18(11-32(15)23)16-2-4-17(24)5-3-16)22(34)31-8-6-30(7-9-31)19-10-20(27-13-26-19)33-14-25-12-28-33/h2-5,10-14H,6-9H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 489.54 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 90626697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).