2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide

C18H15BrN2O2S — CID 1186581

IUPAC2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1
InChIInChI=1S/C18H15BrN2O2S/c1-2-23-13-9-7-12(8-10-13)16-11-24-18(20-16)21-17(22)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeySFHFFBKUHWRHMB-UHFFFAOYSA-N
MW403.30 g/mol
LogP5.22
Rot. Bonds5

About 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1186581) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1186581
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1
InChIInChI=1S/C18H15BrN2O2S/c1-2-23-13-9-7-12(8-10-13)16-11-24-18(20-16)21-17(22)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeySFHFFBKUHWRHMB-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19205233
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1186583
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224419
3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 23854360
2,3-dichloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550460
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 1186581) is 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1.
What is the InChIKey of 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SFHFFBKUHWRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-2-23-13-9-7-12(8-10-13)16-11-24-18(20-16)21-17(22)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 403.30 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1186581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).