2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C14H15FN2S — CID 104928656

IUPAC2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(F)cc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H15FN2S/c1-9-4-5-10(15)7-11(9)14-17-13(8-18-14)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyQNHGXEDCDQOCQX-LBPRGKRZSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds2

About 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 104928656) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID104928656
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCc1ccc(F)cc1-c1nc([C@@H]2CCCN2)cs1
InChIInChI=1S/C14H15FN2S/c1-9-4-5-10(15)7-11(9)14-17-13(8-18-14)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3/t12-/m0/s1
InChIKeyQNHGXEDCDQOCQX-LBPRGKRZSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
2-[(3-fluorophenyl)methyl]-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928674
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 104928656) is 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is Cc1ccc(F)cc1-c1nc([C@@H]2CCCN2)cs1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is QNHGXEDCDQOCQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-9-4-5-10(15)7-11(9)14-17-13(8-18-14)12-3-2-6-16-12/h4-5,7-8,12,16H,2-3,6H2,1H3/t12-/m0/s1.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 262.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 104928656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).