ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate

C17H19FN2O3S — CID 71907091

IUPACethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCCOC(=O)CCC(C)NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C17H19FN2O3S/c1-3-23-15(21)9-8-11(2)20-16(22)14-10-19-17(24-14)12-6-4-5-7-13(12)18/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyPWBQCUWWDIZHSU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.41
Rot. Bonds7

About ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate

ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate (PubChem CID 71907091) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
PubChem CID71907091
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Nameethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCCOC(=O)CCC(C)NC(=O)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C17H19FN2O3S/c1-3-23-15(21)9-8-11(2)20-16(22)14-10-19-17(24-14)12-6-4-5-7-13(12)18/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyPWBQCUWWDIZHSU-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164617757
2-phenyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164619567
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164622279
2-(4-fluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166627912
N-[3-(2-oxoazepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46493545
N-(2-amino-2-oxo-1-phenylethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47721234
Methyl 2-[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoate
CID 52876212
2-ethyl-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 53537563

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The IUPAC name of ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate (CID 71907091) is ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate.
What is the SMILES notation for ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The canonical SMILES for ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate is CCOC(=O)CCC(C)NC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The InChIKey is PWBQCUWWDIZHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-23-15(21)9-8-11(2)20-16(22)14-10-19-17(24-14)12-6-4-5-7-13(12)18/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate has a molecular weight of 350.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate is sourced from PubChem (CID 71907091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).