ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate

C14H12F2N2O3S — CID 60620680

IUPACethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(F)c2F)n1
InChIInChI=1S/C14H12F2N2O3S/c1-2-21-11(19)6-8-7-22-14(17-8)18-13(20)9-4-3-5-10(15)12(9)16/h3-5,7H,2,6H2,1H3,(H,17,18,20)
InChIKeyCSHGJUILTFDBCC-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 60620680) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID60620680
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC Nameethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(F)c2F)n1
InChIInChI=1S/C14H12F2N2O3S/c1-2-21-11(19)6-8-7-22-14(17-8)18-13(20)9-4-3-5-10(15)12(9)16/h3-5,7H,2,6H2,1H3,(H,17,18,20)
InChIKeyCSHGJUILTFDBCC-UHFFFAOYSA-N
XLogP2.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 60620680) is ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccc(F)c2F)n1.
What is the InChIKey of ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is CSHGJUILTFDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-2-21-11(19)6-8-7-22-14(17-8)18-13(20)9-4-3-5-10(15)12(9)16/h3-5,7H,2,6H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 326.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 60620680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).