ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C20H18FN3O4S — CID 7597796

IUPACethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C20H18FN3O4S/c1-2-28-17(25)10-15-12-29-20(22-15)23-18(26)16-4-3-9-24(19(16)27)11-13-5-7-14(21)8-6-13/h3-9,12H,2,10-11H2,1H3,(H,22,23,26)
InChIKeyHLTSNLFMBGWIKQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.85
Rot. Bonds7

About ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 7597796) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID7597796
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Nameethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C20H18FN3O4S/c1-2-28-17(25)10-15-12-29-20(22-15)23-18(26)16-4-3-9-24(19(16)27)11-13-5-7-14(21)8-6-13/h3-9,12H,2,10-11H2,1H3,(H,22,23,26)
InChIKeyHLTSNLFMBGWIKQ-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598102
ethyl 2-[2-[[2-(2-formylpyrrol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 39149039
ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624362
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620637
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 7597796) is ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1.
What is the InChIKey of ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HLTSNLFMBGWIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c1-2-28-17(25)10-15-12-29-20(22-15)23-18(26)16-4-3-9-24(19(16)27)11-13-5-7-14(21)8-6-13/h3-9,12H,2,10-11H2,1H3,(H,22,23,26).
What are the key properties of ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 415.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7597796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).