3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C11H10F2N2O2S — CID 2676787

IUPAC3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16)
InChIKeySXIIWLMZXIGPJU-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.12
Rot. Bonds3

About 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 2676787) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID2676787
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(OC(F)F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16)
InChIKeySXIIWLMZXIGPJU-UHFFFAOYSA-N
XLogP2.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 2676787) is 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is SXIIWLMZXIGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c12-10(13)17-8-3-1-2-7(6-8)9(16)15-11-14-4-5-18-11/h1-3,6,10H,4-5H2,(H,14,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 272.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2676787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).