ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

C20H17FN2O3S2 — CID 7546098

IUPACethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17FN2O3S2/c1-2-26-19(25)18-17(13-6-4-3-5-7-13)23-20(28-18)22-16(24)12-27-15-10-8-14(21)9-11-15/h3-11H,2,12H2,1H3,(H,22,23,24)
InChIKeyNNFQPSBHPCSXDH-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.86
Rot. Bonds7

About ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 7546098) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID7546098
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H17FN2O3S2/c1-2-26-19(25)18-17(13-6-4-3-5-7-13)23-20(28-18)22-16(24)12-27-15-10-8-14(21)9-11-15/h3-11H,2,12H2,1H3,(H,22,23,24)
InChIKeyNNFQPSBHPCSXDH-UHFFFAOYSA-N
XLogP4.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186
ethyl 2-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16575050
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 2-[(4-methylsulfanylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7565328
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
ethyl 4-phenyl-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16838736
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566775
ethyl 2-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 156828643
ethyl 2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55583528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 7546098) is ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is NNFQPSBHPCSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c1-2-26-19(25)18-17(13-6-4-3-5-7-13)23-20(28-18)22-16(24)12-27-15-10-8-14(21)9-11-15/h3-11H,2,12H2,1H3,(H,22,23,24).
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 416.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7546098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).