5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

C22H28FN5S — CID 45239684

IUPAC5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H28FN5S/c1-17-21(28-13-14-29-22(28)24-17)16-25-8-2-3-20(15-25)27-11-9-26(10-12-27)19-6-4-18(23)5-7-19/h4-7,13-14,20H,2-3,8-12,15-16H2,1H3
InChIKeyDSWAEPPSBOJJAM-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.63
Rot. Bonds4

About 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 45239684) has the molecular formula C22H28FN5S and a molecular weight of 413.57 g/mol. Its IUPAC name is 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID45239684
Molecular FormulaC22H28FN5S
Molecular Weight413.57 g/mol
Exact Mass413.20
IUPAC Name5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H28FN5S/c1-17-21(28-13-14-29-22(28)24-17)16-25-8-2-3-20(15-25)27-11-9-26(10-12-27)19-6-4-18(23)5-7-19/h4-7,13-14,20H,2-3,8-12,15-16H2,1H3
InChIKeyDSWAEPPSBOJJAM-UHFFFAOYSA-N
XLogP3.63
TPSA27.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
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1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
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CID 56703574
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45195712
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
1-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45223114
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 45239684) is 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CN1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is DSWAEPPSBOJJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5S/c1-17-21(28-13-14-29-22(28)24-17)16-25-8-2-3-20(15-25)27-11-9-26(10-12-27)19-6-4-18(23)5-7-19/h4-7,13-14,20H,2-3,8-12,15-16H2,1H3.
What are the key properties of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 413.57 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 45239684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).