2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

C14H15FN2S — CID 116885078

IUPAC2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(-c2ccccc2F)sc1C1CCNC1
InChIInChI=1S/C14H15FN2S/c1-9-13(10-6-7-16-8-10)18-14(17-9)11-4-2-3-5-12(11)15/h2-5,10,16H,6-8H2,1H3
InChIKeyUSWLKKNBMGVNQA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.33
Rot. Bonds2

About 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole

2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116885078) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116885078
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1nc(-c2ccccc2F)sc1C1CCNC1
InChIInChI=1S/C14H15FN2S/c1-9-13(10-6-7-16-8-10)18-14(17-9)11-4-2-3-5-12(11)15/h2-5,10,16H,6-8H2,1H3
InChIKeyUSWLKKNBMGVNQA-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885328
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917759
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
CID 117401616
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 82413076
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole (CID 116885078) is 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is Cc1nc(-c2ccccc2F)sc1C1CCNC1.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is USWLKKNBMGVNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-13(10-6-7-16-8-10)18-14(17-9)11-4-2-3-5-12(11)15/h2-5,10,16H,6-8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole?
2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 262.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116885078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).