ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

C16H13FN2O3S2 — CID 4591238

IUPACethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(F)cc3)sc2c1C
InChIInChI=1S/C16H13FN2O3S2/c1-3-22-15(21)12-8(2)11-14(23-12)19-16(24-11)18-13(20)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyHZBGSWCYIHFXGA-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.23
Rot. Bonds4

About ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate

ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 4591238) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID4591238
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Nameethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(NC(=O)c3ccc(F)cc3)sc2c1C
InChIInChI=1S/C16H13FN2O3S2/c1-3-22-15(21)12-8(2)11-14(23-12)19-16(24-11)18-13(20)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyHZBGSWCYIHFXGA-UHFFFAOYSA-N
XLogP4.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[[4-(dimethylamino)benzoyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 5082140
ethyl 6-methyl-2-[(4-methylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 18573740
ethyl 6-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate
CID 4598099
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
ethyl 4-cyano-5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 2672014
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41145874
ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41139458
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 5-[(4-fluorobenzoyl)amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1496173
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
diethyl 5-[[2-[[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 23987512
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate (CID 4591238) is ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1sc2nc(NC(=O)c3ccc(F)cc3)sc2c1C.
What is the InChIKey of ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is HZBGSWCYIHFXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-3-22-15(21)12-8(2)11-14(23-12)19-16(24-11)18-13(20)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorobenzoyl)amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 4591238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).