[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C22H25FN4OS — CID 45182768

IUPAC[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCC(c2ccc(F)cc2)C1)N1CCCCC1
InChIInChI=1S/C22H25FN4OS/c23-18-6-4-16(5-7-18)17-8-11-25(14-17)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-2-1-3-10-26/h4-7,12-13,17H,1-3,8-11,14-15H2
InChIKeyXHZDQVJFQIRDQG-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.15
Rot. Bonds4

About [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 45182768) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID45182768
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC Name[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1CN1CCC(c2ccc(F)cc2)C1)N1CCCCC1
InChIInChI=1S/C22H25FN4OS/c23-18-6-4-16(5-7-18)17-8-11-25(14-17)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-2-1-3-10-26/h4-7,12-13,17H,1-3,8-11,14-15H2
InChIKeyXHZDQVJFQIRDQG-UHFFFAOYSA-N
XLogP4.15
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 124758325
[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 134796220
azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 25274060
[2-amino-6-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92640013
azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45203962
azocan-1-yl-[5-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45182905
pyrrolidin-1-yl-[5-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31054593
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 45182768) is [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is O=C(c1nc2sccn2c1CN1CCC(c2ccc(F)cc2)C1)N1CCCCC1.
What is the InChIKey of [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is XHZDQVJFQIRDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c23-18-6-4-16(5-7-18)17-8-11-25(14-17)15-19-20(24-22-27(19)12-13-29-22)21(28)26-9-2-1-3-10-26/h4-7,12-13,17H,1-3,8-11,14-15H2.
What are the key properties of [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 412.53 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).