2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide

C13H12IN3O3S — CID 55441913

IUPAC2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)COc2ccc(I)cc2)n1
InChIInChI=1S/C13H12IN3O3S/c14-8-1-3-10(4-2-8)20-6-12(19)17-13-16-9(7-21-13)5-11(15)18/h1-4,7H,5-6H2,(H2,15,18)(H,16,17,19)
InChIKeyYVLZGBQMWQLJHB-UHFFFAOYSA-N
MW417.23 g/mol
LogP1.79
Rot. Bonds6

About 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide

2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide (PubChem CID 55441913) has the molecular formula C13H12IN3O3S and a molecular weight of 417.23 g/mol. Its IUPAC name is 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
PubChem CID55441913
Molecular FormulaC13H12IN3O3S
Molecular Weight417.23 g/mol
Exact Mass416.96
IUPAC Name2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)COc2ccc(I)cc2)n1
InChIInChI=1S/C13H12IN3O3S/c14-8-1-3-10(4-2-8)20-6-12(19)17-13-16-9(7-21-13)5-11(15)18/h1-4,7H,5-6H2,(H2,15,18)(H,16,17,19)
InChIKeyYVLZGBQMWQLJHB-UHFFFAOYSA-N
XLogP1.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 17436848
methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 9141010
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
methyl 4-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55548975
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
2-(4-fluorophenoxy)-N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16850140
2-[2-[[2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43092953
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide (CID 55441913) is 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(NC(=O)COc2ccc(I)cc2)n1.
What is the InChIKey of 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YVLZGBQMWQLJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O3S/c14-8-1-3-10(4-2-8)20-6-12(19)17-13-16-9(7-21-13)5-11(15)18/h1-4,7H,5-6H2,(H2,15,18)(H,16,17,19).
What are the key properties of 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide?
2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 417.23 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55441913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).