2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid

C15H16N2O5S — CID 45492200

IUPAC2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCOc1cccc(-c2nc(CC(=O)NCC(=O)O)cs2)c1OC
InChIInChI=1S/C15H16N2O5S/c1-21-11-5-3-4-10(14(11)22-2)15-17-9(8-23-15)6-12(18)16-7-13(19)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPXNUEPSBWYEJW-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.57
Rot. Bonds7

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

2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (PubChem CID 45492200) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
PubChem CID45492200
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
SMILESCOc1cccc(-c2nc(CC(=O)NCC(=O)O)cs2)c1OC
InChIInChI=1S/C15H16N2O5S/c1-21-11-5-3-4-10(14(11)22-2)15-17-9(8-23-15)6-12(18)16-7-13(19)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPXNUEPSBWYEJW-UHFFFAOYSA-N
XLogP1.57
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
(2S)-6-[3-[4-[2-(carboxymethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methoxyphenoxy]-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylhexanoic acid
CID 134601687
2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 43322559
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 8958443
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-bromobenzoyl)amino]acetate
CID 31272021
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid (CID 45492200) is 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is COc1cccc(-c2nc(CC(=O)NCC(=O)O)cs2)c1OC.
What is the InChIKey of 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is DPXNUEPSBWYEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-11-5-3-4-10(14(11)22-2)15-17-9(8-23-15)6-12(18)16-7-13(19)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid?
2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 336.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 45492200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).