(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C20H22FN3OS — CID 92598291

IUPAC(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c(C3CCN(C(=O)c4cccc(F)c4)CC3)nc(C)n2c1C
InChIInChI=1S/C20H22FN3OS/c1-12-13(2)26-20-18(22-14(3)24(12)20)15-7-9-23(10-8-15)19(25)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10H2,1-3H3
InChIKeyCDYXHUZNZWMMQA-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.48
Rot. Bonds2

About (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92598291) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92598291
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c(C3CCN(C(=O)c4cccc(F)c4)CC3)nc(C)n2c1C
InChIInChI=1S/C20H22FN3OS/c1-12-13(2)26-20-18(22-14(3)24(12)20)15-7-9-23(10-8-15)19(25)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10H2,1-3H3
InChIKeyCDYXHUZNZWMMQA-UHFFFAOYSA-N
XLogP4.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
(3-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110423668
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
N-[[2-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842221
(3-fluorophenyl)-[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837668
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92598291) is (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1sc2c(C3CCN(C(=O)c4cccc(F)c4)CC3)nc(C)n2c1C.
What is the InChIKey of (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is CDYXHUZNZWMMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-12-13(2)26-20-18(22-14(3)24(12)20)15-7-9-23(10-8-15)19(25)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92598291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).