4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H12Br2N2O2S2 — CID 19205233

IUPAC4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cc(Br)c(Br)s3)n2)cc1
InChIInChI=1S/C16H12Br2N2O2S2/c1-2-22-10-5-3-9(4-6-10)12-8-23-16(19-12)20-15(21)13-7-11(17)14(18)24-13/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyIMBSDUIJRKWHND-UHFFFAOYSA-N
MW488.23 g/mol
LogP6.05
Rot. Bonds5

About 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 19205233) has the molecular formula C16H12Br2N2O2S2 and a molecular weight of 488.23 g/mol. Its IUPAC name is 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID19205233
Molecular FormulaC16H12Br2N2O2S2
Molecular Weight488.23 g/mol
Exact Mass485.87
IUPAC Name4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cc(Br)c(Br)s3)n2)cc1
InChIInChI=1S/C16H12Br2N2O2S2/c1-2-22-10-5-3-9(4-6-10)12-8-23-16(19-12)20-15(21)13-7-11(17)14(18)24-13/h3-8H,2H2,1H3,(H,19,20,21)
InChIKeyIMBSDUIJRKWHND-UHFFFAOYSA-N
XLogP6.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.23
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dibromo-N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19197494
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173197
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224419
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1186583
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19175491
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
3-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225668
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
5-bromo-N-[4-(5-ethoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 44916278

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 19205233) is 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCOc1ccc(-c2csc(NC(=O)c3cc(Br)c(Br)s3)n2)cc1.
What is the InChIKey of 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is IMBSDUIJRKWHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O2S2/c1-2-22-10-5-3-9(4-6-10)12-8-23-16(19-12)20-15(21)13-7-11(17)14(18)24-13/h3-8H,2H2,1H3,(H,19,20,21).
What are the key properties of 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 488.23 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19205233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).