N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide

C13H11BrN2O2S — CID 4058798

IUPACN-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3/b15-13-
InChIKeyJAXCDGFLPYXIIP-SQFISAMPSA-N
MW339.21 g/mol
LogP2.64
Rot. Bonds3

About N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide

N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 4058798) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide
PubChem CID4058798
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sccn1CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3/b15-13-
InChIKeyJAXCDGFLPYXIIP-SQFISAMPSA-N
XLogP2.64
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide (CID 4058798) is N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide is CC(=O)/N=c1\sccn1CC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is JAXCDGFLPYXIIP-SQFISAMPSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3/b15-13-.
What are the key properties of N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide?
N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 339.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-bromophenyl)-2-oxoethyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 4058798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).