3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C12H10F2N2O2S — CID 4858821

IUPAC3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H10F2N2O2S/c1-16-5-6-19-12(16)15-10(17)8-3-2-4-9(7-8)18-11(13)14/h2-7,11H,1H3/b15-12+
InChIKeyYPDNQWPIUQBMAT-NTCAYCPXSA-N
MW284.29 g/mol
LogP2.43
Rot. Bonds3

About 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 4858821) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID4858821
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H10F2N2O2S/c1-16-5-6-19-12(16)15-10(17)8-3-2-4-9(7-8)18-11(13)14/h2-7,11H,1H3/b15-12+
InChIKeyYPDNQWPIUQBMAT-NTCAYCPXSA-N
XLogP2.43
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 4858821) is 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N/C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is YPDNQWPIUQBMAT-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-16-5-6-19-12(16)15-10(17)8-3-2-4-9(7-8)18-11(13)14/h2-7,11H,1H3/b15-12+.
What are the key properties of 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 4858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).