4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole

C12H10F2N2S — CID 116888592

IUPAC4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(F)c(-c2nc(C3CNC3)cs2)c1
InChIInChI=1S/C12H10F2N2S/c13-8-1-2-10(14)9(3-8)12-16-11(6-17-12)7-4-15-5-7/h1-3,6-7,15H,4-5H2
InChIKeyAPCAZPRRJHDTJO-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.78
Rot. Bonds2

About 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole

4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole (PubChem CID 116888592) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
PubChem CID116888592
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(F)c(-c2nc(C3CNC3)cs2)c1
InChIInChI=1S/C12H10F2N2S/c13-8-1-2-10(14)9(3-8)12-16-11(6-17-12)7-4-15-5-7/h1-3,6-7,15H,4-5H2
InChIKeyAPCAZPRRJHDTJO-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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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole (CID 116888592) is 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole is Fc1ccc(F)c(-c2nc(C3CNC3)cs2)c1.
What is the InChIKey of 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole?
The InChIKey is APCAZPRRJHDTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-8-1-2-10(14)9(3-8)12-16-11(6-17-12)7-4-15-5-7/h1-3,6-7,15H,4-5H2.
What are the key properties of 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole?
4-(azetidin-3-yl)-2-(2,5-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 4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 116888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).