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

C14H14F2N2O3S — CID 24686093

IUPAC4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCOc1cc(C(=O)/N=c2/sccn2C)ccc1OC(F)F
InChIInChI=1S/C14H14F2N2O3S/c1-3-20-11-8-9(4-5-10(11)21-13(15)16)12(19)17-14-18(2)6-7-22-14/h4-8,13H,3H2,1-2H3/b17-14+
InChIKeyCOAJHNWEDVULFV-SAPNQHFASA-N
MW328.34 g/mol
LogP2.83
Rot. Bonds5

About 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 24686093) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID24686093
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCCOc1cc(C(=O)/N=c2/sccn2C)ccc1OC(F)F
InChIInChI=1S/C14H14F2N2O3S/c1-3-20-11-8-9(4-5-10(11)21-13(15)16)12(19)17-14-18(2)6-7-22-14/h4-8,13H,3H2,1-2H3/b17-14+
InChIKeyCOAJHNWEDVULFV-SAPNQHFASA-N
XLogP2.83
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 24686093) is 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CCOc1cc(C(=O)/N=c2/sccn2C)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is COAJHNWEDVULFV-SAPNQHFASA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-3-20-11-8-9(4-5-10(11)21-13(15)16)12(19)17-14-18(2)6-7-22-14/h4-8,13H,3H2,1-2H3/b17-14+.
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 328.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 24686093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).