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

C13H12ClFN2S — CID 114456904

IUPAC2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESFc1cc(Cl)ccc1-c1nc(C2CCCN2)cs1
InChIInChI=1S/C13H12ClFN2S/c14-8-3-4-9(10(15)6-8)13-17-12(7-18-13)11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5H2
InChIKeyAOADQPIOUMOHBH-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.03
Rot. Bonds2

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

2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 114456904) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
PubChem CID114456904
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
SMILESFc1cc(Cl)ccc1-c1nc(C2CCCN2)cs1
InChIInChI=1S/C13H12ClFN2S/c14-8-3-4-9(10(15)6-8)13-17-12(7-18-13)11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5H2
InChIKeyAOADQPIOUMOHBH-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928656
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
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
2-(2-methoxyphenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928786
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(4,6-dimethyl-2-pyridinyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114269459
2-(2,4-dichlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 175660871
3-(2,4-dichlorophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569078
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
4-[(2S)-pyrrolidin-2-yl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 104853425

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole (CID 114456904) is 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole is Fc1cc(Cl)ccc1-c1nc(C2CCCN2)cs1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is AOADQPIOUMOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c14-8-3-4-9(10(15)6-8)13-17-12(7-18-13)11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole?
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 282.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 114456904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).