5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C14H15FN2S — CID 172891886

IUPAC5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(C2CCN(Cc3cncs3)C2)cc1
InChIInChI=1S/C14H15FN2S/c15-13-3-1-11(2-4-13)12-5-6-17(8-12)9-14-7-16-10-18-14/h1-4,7,10,12H,5-6,8-9H2
InChIKeyYDOWXFCPZHXWIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.27
Rot. Bonds3

About 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 172891886) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID172891886
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(C2CCN(Cc3cncs3)C2)cc1
InChIInChI=1S/C14H15FN2S/c15-13-3-1-11(2-4-13)12-5-6-17(8-12)9-14-7-16-10-18-14/h1-4,7,10,12H,5-6,8-9H2
InChIKeyYDOWXFCPZHXWIX-UHFFFAOYSA-N
XLogP3.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 124615184
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124942827
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 172891886) is 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Fc1ccc(C2CCN(Cc3cncs3)C2)cc1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YDOWXFCPZHXWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-13-3-1-11(2-4-13)12-5-6-17(8-12)9-14-7-16-10-18-14/h1-4,7,10,12H,5-6,8-9H2.
What are the key properties of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 262.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 172891886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).