2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone

C19H20F2N2O2S — CID 147925745

IUPAC2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone
SMILESO=C(Cc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCN1C1CCOCC1
InChIInChI=1S/C19H20F2N2O2S/c20-14-2-1-12(9-15(14)21)16-11-26-19(22-16)10-18(24)17-3-6-23(17)13-4-7-25-8-5-13/h1-2,9,11,13,17H,3-8,10H2/t17-/m0/s1
InChIKeyIIWRJXRWVDVEJQ-KRWDZBQOSA-N
MW378.44 g/mol
LogP3.45
Rot. Bonds5

About 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone

2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone (PubChem CID 147925745) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone
PubChem CID147925745
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone
SMILESO=C(Cc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCN1C1CCOCC1
InChIInChI=1S/C19H20F2N2O2S/c20-14-2-1-12(9-15(14)21)16-11-26-19(22-16)10-18(24)17-3-6-23(17)13-4-7-25-8-5-13/h1-2,9,11,13,17H,3-8,10H2/t17-/m0/s1
InChIKeyIIWRJXRWVDVEJQ-KRWDZBQOSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone (CID 147925745) is 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone is O=C(Cc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCN1C1CCOCC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone?
The InChIKey is IIWRJXRWVDVEJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c20-14-2-1-12(9-15(14)21)16-11-26-19(22-16)10-18(24)17-3-6-23(17)13-4-7-25-8-5-13/h1-2,9,11,13,17H,3-8,10H2/t17-/m0/s1.
What are the key properties of 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone?
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone has a molecular weight of 378.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-[(2S)-1-(oxan-4-yl)azetidin-2-yl]ethanone is sourced from PubChem (CID 147925745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).