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

C23H28FN5S — CID 56718757

IUPAC2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3nccs3)C2)CC1
InChIInChI=1S/C23H28FN5S/c24-21-7-1-2-8-22(21)28-14-12-27(13-15-28)19-5-3-10-26(17-19)18-20-6-4-11-29(20)23-25-9-16-30-23/h1-2,4,6-9,11,16,19H,3,5,10,12-15,17-18H2
InChIKeyIKYNYHFYNFKVDH-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.86
Rot. Bonds5

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

2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole (PubChem CID 56718757) has the molecular formula C23H28FN5S and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
PubChem CID56718757
Molecular FormulaC23H28FN5S
Molecular Weight425.58 g/mol
Exact Mass425.20
IUPAC Name2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
SMILESFc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3nccs3)C2)CC1
InChIInChI=1S/C23H28FN5S/c24-21-7-1-2-8-22(21)28-14-12-27(13-15-28)19-5-3-10-26(17-19)18-20-6-4-11-29(20)23-25-9-16-30-23/h1-2,4,6-9,11,16,19H,3,5,10,12-15,17-18H2
InChIKeyIKYNYHFYNFKVDH-UHFFFAOYSA-N
XLogP3.86
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 45210797
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
CID 92689876
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45195712
(3R)-N-(3-fluorophenyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-amine
CID 42311344
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
CID 51635907
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
naphthalen-1-yl-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
CID 25477877
2-[2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 45205117

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole (CID 56718757) is 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole is Fc1ccccc1N1CCN(C2CCCN(Cc3cccn3-c3nccs3)C2)CC1.
What is the InChIKey of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
The InChIKey is IKYNYHFYNFKVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5S/c24-21-7-1-2-8-22(21)28-14-12-27(13-15-28)19-5-3-10-26(17-19)18-20-6-4-11-29(20)23-25-9-16-30-23/h1-2,4,6-9,11,16,19H,3,5,10,12-15,17-18H2.
What are the key properties of 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole?
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole has a molecular weight of 425.58 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole is sourced from PubChem (CID 56718757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).