2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C12H12F2N2O2S — CID 47113405

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1=NCCS1
InChIInChI=1S/C12H12F2N2O2S/c13-11(14)18-9-3-1-8(2-4-9)7-10(17)16-12-15-5-6-19-12/h1-4,11H,5-7H2,(H,15,16,17)
InChIKeyUDAXXXZXGXVOLF-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 47113405) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID47113405
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)NC1=NCCS1
InChIInChI=1S/C12H12F2N2O2S/c13-11(14)18-9-3-1-8(2-4-9)7-10(17)16-12-15-5-6-19-12/h1-4,11H,5-7H2,(H,15,16,17)
InChIKeyUDAXXXZXGXVOLF-UHFFFAOYSA-N
XLogP2.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 47113405) is 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(OC(F)F)cc1)NC1=NCCS1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is UDAXXXZXGXVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-11(14)18-9-3-1-8(2-4-9)7-10(17)16-12-15-5-6-19-12/h1-4,11H,5-7H2,(H,15,16,17).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 286.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47113405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).