4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole

C21H22FN3S — CID 22198420

IUPAC4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)cs2)c1
InChIInChI=1S/C21H22FN3S/c1-16-3-2-4-17(13-16)21-23-19(15-26-21)14-24-9-11-25(12-10-24)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQPHYMQFLRZEQDS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.58
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole (PubChem CID 22198420) has the molecular formula C21H22FN3S and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
PubChem CID22198420
Molecular FormulaC21H22FN3S
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)cs2)c1
InChIInChI=1S/C21H22FN3S/c1-16-3-2-4-17(13-16)21-23-19(15-26-21)14-24-9-11-25(12-10-24)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3
InChIKeyQPHYMQFLRZEQDS-UHFFFAOYSA-N
XLogP4.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22197125
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine
CID 19367156
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole (CID 22198420) is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole is Cc1cccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)cs2)c1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
The InChIKey is QPHYMQFLRZEQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3S/c1-16-3-2-4-17(13-16)21-23-19(15-26-21)14-24-9-11-25(12-10-24)20-7-5-18(22)6-8-20/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole?
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole has a molecular weight of 367.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22198420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).