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

C17H19FN2O3S — CID 97079223

IUPACethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCCOC(=O)CC[C@H](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)/t11-/m0/s1
InChIKeyPWBQCUWWDIZHSU-NSHDSACASA-N
MW350.42 g/mol
LogP3.41
Rot. Bonds7

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

ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate (PubChem CID 97079223) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
PubChem CID97079223
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Nameethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCCOC(=O)CC[C@H](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)/t11-/m0/s1
InChIKeyPWBQCUWWDIZHSU-NSHDSACASA-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

2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
CID 133061134
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 97087861
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
N-[(3-aminospiro[3.3]heptan-1-yl)methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 166313968
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
N-[[4-[2-(dimethylamino)ethyl]phenyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 154839293
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The IUPAC name of ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate (CID 97079223) is ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate.
What is the SMILES notation for ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The canonical SMILES for ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate is CCOC(=O)CC[C@H](C)NC(=O)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
The InChIKey is PWBQCUWWDIZHSU-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate?
ethyl (4S)-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 (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate is sourced from PubChem (CID 97079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).