ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate

C14H12F2N2O3S2 — CID 51205234

IUPACethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CSc2ccc(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O3S2/c1-2-21-13(20)10-6-23-14(17-10)18-12(19)7-22-11-4-3-8(15)5-9(11)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKeyRCXTXIKTEAHEHN-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.33
Rot. Bonds6

About ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 51205234) has the molecular formula C14H12F2N2O3S2 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID51205234
Molecular FormulaC14H12F2N2O3S2
Molecular Weight358.39 g/mol
Exact Mass358.03
IUPAC Nameethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CSc2ccc(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O3S2/c1-2-21-13(20)10-6-23-14(17-10)18-12(19)7-22-11-4-3-8(15)5-9(11)16/h3-6H,2,7H2,1H3,(H,17,18,19)
InChIKeyRCXTXIKTEAHEHN-UHFFFAOYSA-N
XLogP3.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate (CID 51205234) is ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CSc2ccc(F)cc2F)n1.
What is the InChIKey of ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RCXTXIKTEAHEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S2/c1-2-21-13(20)10-6-23-14(17-10)18-12(19)7-22-11-4-3-8(15)5-9(11)16/h3-6H,2,7H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51205234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).