ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H16FN3O4S — CID 43832673

IUPACethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)nc1C
InChIInChI=1S/C18H16FN3O4S/c1-3-26-17(25)16-10(2)20-18(27-16)21-14(24)9-22-8-7-13(23)11-5-4-6-12(19)15(11)22/h4-8H,3,9H2,1-2H3,(H,20,21,24)
InChIKeyBVLUPSKLOHILON-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.72
Rot. Bonds5

About ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 43832673) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID43832673
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Nameethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)nc1C
InChIInChI=1S/C18H16FN3O4S/c1-3-26-17(25)16-10(2)20-18(27-16)21-14(24)9-22-8-7-13(23)11-5-4-6-12(19)15(11)22/h4-8H,3,9H2,1-2H3,(H,20,21,24)
InChIKeyBVLUPSKLOHILON-UHFFFAOYSA-N
XLogP2.72
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 6615144
N-(2-ethylphenyl)-2-(8-fluoro-4-oxoquinolin-1-yl)acetamide
CID 43832820
2-(8-fluoro-4-oxoquinolin-1-yl)-N-pyridin-4-ylacetamide
CID 43832572
propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 43833300
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 2-[[2-[(5,9-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16876745
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 7662536
ethyl 2-[[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17278379
ethyl 4-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
CID 39773535
ethyl 2-[3-[(3-methoxybenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17226273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 43832673) is ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)nc1C.
What is the InChIKey of ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BVLUPSKLOHILON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-3-26-17(25)16-10(2)20-18(27-16)21-14(24)9-22-8-7-13(23)11-5-4-6-12(19)15(11)22/h4-8H,3,9H2,1-2H3,(H,20,21,24).
What are the key properties of ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 43832673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).