2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid

C20H17FN2O3S — CID 45369812

IUPAC2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cc1csc(-c2ccccc2F)n1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H17FN2O3S/c21-16-9-5-4-8-15(16)19-22-14(12-27-19)11-18(24)23-17(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,23,24)(H,25,26)
InChIKeyWOZKBIZWHKBSNP-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.30
Rot. Bonds7

About 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid

2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 45369812) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
PubChem CID45369812
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(Cc1csc(-c2ccccc2F)n1)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H17FN2O3S/c21-16-9-5-4-8-15(16)19-22-14(12-27-19)11-18(24)23-17(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,23,24)(H,25,26)
InChIKeyWOZKBIZWHKBSNP-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoic acid;methanethiol
CID 142371292
(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 51053788
(2S)-2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-(3H-inden-1-yl)propanoic acid
CID 160804965
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 74586473
6-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoic acid
CID 45493291
(2R)-2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 124647486
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid (CID 45369812) is 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid is O=C(Cc1csc(-c2ccccc2F)n1)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is WOZKBIZWHKBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-16-9-5-4-8-15(16)19-22-14(12-27-19)11-18(24)23-17(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,17H,10-11H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid?
2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 384.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 45369812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).