2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

C20H19BrFN3OS — CID 1482779

IUPAC2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1
InChIInChI=1S/C20H19BrFN3OS/c21-15-1-7-18(8-2-15)26-20-23-13-19(27-20)14-24-9-11-25(12-10-24)17-5-3-16(22)4-6-17/h1-8,13H,9-12,14H2
InChIKeyQDMVNYLLAVMQHS-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole

2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 1482779) has the molecular formula C20H19BrFN3OS and a molecular weight of 448.36 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID1482779
Molecular FormulaC20H19BrFN3OS
Molecular Weight448.36 g/mol
Exact Mass447.04
IUPAC Name2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1
InChIInChI=1S/C20H19BrFN3OS/c21-15-1-7-18(8-2-15)26-20-23-13-19(27-20)14-24-9-11-25(12-10-24)17-5-3-16(22)4-6-17/h1-8,13H,9-12,14H2
InChIKeyQDMVNYLLAVMQHS-UHFFFAOYSA-N
XLogP5.16
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898152
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
1-(4-fluorophenyl)-4-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 171388409
2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
CID 10268423
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
[5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80601986

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 1482779) is 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is Fc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QDMVNYLLAVMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3OS/c21-15-1-7-18(8-2-15)26-20-23-13-19(27-20)14-24-9-11-25(12-10-24)17-5-3-16(22)4-6-17/h1-8,13H,9-12,14H2.
What are the key properties of 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 448.36 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 1482779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).