2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole

C12H10F2N2S — CID 116965323

IUPAC2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CNC3)n2)c(F)c1
InChIInChI=1S/C12H10F2N2S/c13-8-1-2-9(10(14)3-8)11-6-17-12(16-11)7-4-15-5-7/h1-3,6-7,15H,4-5H2
InChIKeyOKFWACJDKGCIGV-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.78
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole

2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole (PubChem CID 116965323) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
PubChem CID116965323
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CNC3)n2)c(F)c1
InChIInChI=1S/C12H10F2N2S/c13-8-1-2-9(10(14)3-8)11-6-17-12(16-11)7-4-15-5-7/h1-3,6-7,15H,4-5H2
InChIKeyOKFWACJDKGCIGV-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
CID 116898716
4-(4-fluoro-2-methoxyphenyl)-2-[(3R)-piperidin-3-yl]-1,3-thiazole
CID 177184061
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
CID 116965302
4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
CID 116888592
2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338995
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337891
4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558206
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589
[(2S)-2-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfamic acid
CID 156761954
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole (CID 116965323) is 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole is Fc1ccc(-c2csc(C3CNC3)n2)c(F)c1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole?
The InChIKey is OKFWACJDKGCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-8-1-2-9(10(14)3-8)11-6-17-12(16-11)7-4-15-5-7/h1-3,6-7,15H,4-5H2.
What are the key properties of 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole?
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole has a molecular weight of 252.29 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 116965323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).