(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone

C23H28FN3OS — CID 139722170

IUPAC(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1sc2nc(C(C)C)cn2c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3OS/c1-15(2)20-14-27-21(16(3)29-23(27)25-20)10-13-26-11-8-18(9-12-26)22(28)17-4-6-19(24)7-5-17/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyJWUVNDQRGOYFRP-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.10
Rot. Bonds6

About (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone (PubChem CID 139722170) has the molecular formula C23H28FN3OS and a molecular weight of 413.56 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone
PubChem CID139722170
Molecular FormulaC23H28FN3OS
Molecular Weight413.56 g/mol
Exact Mass413.19
IUPAC Name(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1sc2nc(C(C)C)cn2c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3OS/c1-15(2)20-14-27-21(16(3)29-23(27)25-20)10-13-26-11-8-18(9-12-26)22(28)17-4-6-19(24)7-5-17/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyJWUVNDQRGOYFRP-UHFFFAOYSA-N
XLogP5.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone (CID 139722170) is (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone is Cc1sc2nc(C(C)C)cn2c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone?
The InChIKey is JWUVNDQRGOYFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3OS/c1-15(2)20-14-27-21(16(3)29-23(27)25-20)10-13-26-11-8-18(9-12-26)22(28)17-4-6-19(24)7-5-17/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone has a molecular weight of 413.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-(2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 139722170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).