ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate

C20H17FN2O3S — CID 99609548

IUPACethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C20H17FN2O3S/c1-2-26-18(24)12-23(17-11-7-6-10-15(17)21)20(25)16-13-27-19(22-16)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeySEKUVIYTVPCYJP-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.16
Rot. Bonds6

About ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate

ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate (PubChem CID 99609548) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
PubChem CID99609548
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Nameethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C20H17FN2O3S/c1-2-26-18(24)12-23(17-11-7-6-10-15(17)21)20(25)16-13-27-19(22-16)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeySEKUVIYTVPCYJP-UHFFFAOYSA-N
XLogP4.16
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62786731
ethyl (3R)-3-hydroxy-3-(2-phenyl-1,3-thiazol-4-yl)propanoate
CID 102139996
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
(2-fluorophenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 25259516
2-[3-[bis(2-ethoxy-2-oxoethyl)amino]-4-methylphenyl]-1,3-thiazole-4-carboxylic acid
CID 66880463
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-amino-N-hydrazinyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 141311933
N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate?
The IUPAC name of ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate (CID 99609548) is ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate?
The canonical SMILES for ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate is CCOC(=O)CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate?
The InChIKey is SEKUVIYTVPCYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-2-26-18(24)12-23(17-11-7-6-10-15(17)21)20(25)16-13-27-19(22-16)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate?
ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate has a molecular weight of 384.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate is sourced from PubChem (CID 99609548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).