2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid

C14H14N2O3S — CID 9148295

IUPAC2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c17-12(15-8-10-4-2-1-3-5-10)7-13-16-11(9-20-13)6-14(18)19/h1-5,9H,6-8H2,(H,15,17)(H,18,19)
InChIKeyNJKMDLHACGVCHL-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.63
Rot. Bonds6

About 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9148295) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9148295
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H14N2O3S/c17-12(15-8-10-4-2-1-3-5-10)7-13-16-11(9-20-13)6-14(18)19/h1-5,9H,6-8H2,(H,15,17)(H,18,19)
InChIKeyNJKMDLHACGVCHL-UHFFFAOYSA-N
XLogP1.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148100
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
CID 9232942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid (CID 9148295) is 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CC(=O)NCc2ccccc2)n1.
What is the InChIKey of 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NJKMDLHACGVCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12(15-8-10-4-2-1-3-5-10)7-13-16-11(9-20-13)6-14(18)19/h1-5,9H,6-8H2,(H,15,17)(H,18,19).
What are the key properties of 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9148295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).