2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid

C17H20N2O4S — CID 84556753

IUPAC2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1csc(Cc2ccc(OC)cc2)n1)C(=O)O
InChIInChI=1S/C17H20N2O4S/c1-3-4-13(17(21)22)19-16(20)14-10-24-15(18-14)9-11-5-7-12(23-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRELDWLYHCFAPNE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.73
Rot. Bonds8

About 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid

2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid (PubChem CID 84556753) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
PubChem CID84556753
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1csc(Cc2ccc(OC)cc2)n1)C(=O)O
InChIInChI=1S/C17H20N2O4S/c1-3-4-13(17(21)22)19-16(20)14-10-24-15(18-14)9-11-5-7-12(23-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRELDWLYHCFAPNE-UHFFFAOYSA-N
XLogP2.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526918
N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690
2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
CID 84555720
(2S)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 107147041
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 66389123
(2S)-2-[(4-methoxythiophene-2-carbonyl)amino]pentanoic acid
CID 107564238
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid (CID 84556753) is 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1csc(Cc2ccc(OC)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is RELDWLYHCFAPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-4-13(17(21)22)19-16(20)14-10-24-15(18-14)9-11-5-7-12(23-2)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid?
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 348.42 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 84556753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).