N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide

C14H13BrFN3O3S2 — CID 39026265

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide
SMILESCc1nc(NC(=O)COc2ccc(F)cc2Br)sc1SCC(N)=O
InChIInChI=1S/C14H13BrFN3O3S2/c1-7-13(23-6-11(17)20)24-14(18-7)19-12(21)5-22-10-3-2-8(16)4-9(10)15/h2-4H,5-6H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyFVJAKAJGYGHPMD-UHFFFAOYSA-N
MW434.31 g/mol
LogP2.95
Rot. Bonds7

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide (PubChem CID 39026265) has the molecular formula C14H13BrFN3O3S2 and a molecular weight of 434.31 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide
PubChem CID39026265
Molecular FormulaC14H13BrFN3O3S2
Molecular Weight434.31 g/mol
Exact Mass432.96
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide
SMILESCc1nc(NC(=O)COc2ccc(F)cc2Br)sc1SCC(N)=O
InChIInChI=1S/C14H13BrFN3O3S2/c1-7-13(23-6-11(17)20)24-14(18-7)19-12(21)5-22-10-3-2-8(16)4-9(10)15/h2-4H,5-6H2,1H3,(H2,17,20)(H,18,19,21)
InChIKeyFVJAKAJGYGHPMD-UHFFFAOYSA-N
XLogP2.95
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103661
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-5-bromo-2-chlorobenzamide
CID 39023992
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 39024795
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(2-bromo-4-methylphenoxy)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24621134
2-(2-bromo-4-fluorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397452
3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119291959
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-(2-bromo-4-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide (CID 39026265) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide is Cc1nc(NC(=O)COc2ccc(F)cc2Br)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide?
The InChIKey is FVJAKAJGYGHPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O3S2/c1-7-13(23-6-11(17)20)24-14(18-7)19-12(21)5-22-10-3-2-8(16)4-9(10)15/h2-4H,5-6H2,1H3,(H2,17,20)(H,18,19,21).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide has a molecular weight of 434.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide is sourced from PubChem (CID 39026265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).