2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H17FN4S — CID 141298129

IUPAC2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(-c2cn(C3CCN(Cc4nccs4)C3)cn2)cc1
InChIInChI=1S/C17H17FN4S/c18-14-3-1-13(2-4-14)16-10-22(12-20-16)15-5-7-21(9-15)11-17-19-6-8-23-17/h1-4,6,8,10,12,15H,5,7,9,11H2
InChIKeyKKUOIFCVXSZJPF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.59
Rot. Bonds4

About 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 141298129) has the molecular formula C17H17FN4S and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID141298129
Molecular FormulaC17H17FN4S
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC Name2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(-c2cn(C3CCN(Cc4nccs4)C3)cn2)cc1
InChIInChI=1S/C17H17FN4S/c18-14-3-1-13(2-4-14)16-10-22(12-20-16)15-5-7-21(9-15)11-17-19-6-8-23-17/h1-4,6,8,10,12,15H,5,7,9,11H2
InChIKeyKKUOIFCVXSZJPF-UHFFFAOYSA-N
XLogP3.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 141298114
4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 74241415
4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine
CID 155674763
(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
CID 175254745
2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131670835
2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 42194400
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 91831848
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 141298129) is 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Fc1ccc(-c2cn(C3CCN(Cc4nccs4)C3)cn2)cc1.
What is the InChIKey of 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KKUOIFCVXSZJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4S/c18-14-3-1-13(2-4-14)16-10-22(12-20-16)15-5-7-21(9-15)11-17-19-6-8-23-17/h1-4,6,8,10,12,15H,5,7,9,11H2.
What are the key properties of 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 328.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 141298129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).