2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

C14H13N2O4S- — CID 9148100

IUPAC2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2ccc(O)cc2)n1
InChIInChI=1S/C14H14N2O4S/c17-11-3-1-9(2-4-11)7-15-12(18)6-13-16-10(8-21-13)5-14(19)20/h1-4,8,17H,5-7H2,(H,15,18)(H,19,20)/p-1
InChIKeyFQBKYNCYRRJYBA-UHFFFAOYSA-M
MW305.33 g/mol
LogP0.00
Rot. Bonds6

About 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9148100) has the molecular formula C14H13N2O4S- and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9148100
Molecular FormulaC14H13N2O4S-
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CC(=O)NCc2ccc(O)cc2)n1
InChIInChI=1S/C14H14N2O4S/c17-11-3-1-9(2-4-11)7-15-12(18)6-13-16-10(8-21-13)5-14(19)20/h1-4,8,17H,5-7H2,(H,15,18)(H,19,20)/p-1
InChIKeyFQBKYNCYRRJYBA-UHFFFAOYSA-M
XLogP0.00
TPSA102.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
2-[2-[2-[(2,6-dichlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148055
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
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
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777
2-[2-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9155391
2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9148100) is 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(CC(=O)NCc2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is FQBKYNCYRRJYBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O4S/c17-11-3-1-9(2-4-11)7-15-12(18)6-13-16-10(8-21-13)5-14(19)20/h1-4,8,17H,5-7H2,(H,15,18)(H,19,20)/p-1.
What are the key properties of 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 305.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9148100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).