4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide

C14H15BrN2O2S — CID 78987642

IUPAC4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCCc1nc(NC(=O)c2ccc(Br)cc2OC)sc1C
InChIInChI=1S/C14H15BrN2O2S/c1-4-11-8(2)20-14(16-11)17-13(18)10-6-5-9(15)7-12(10)19-3/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyZQDQPBBTESMVCD-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.04
Rot. Bonds4

About 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide

4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide (PubChem CID 78987642) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
PubChem CID78987642
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCCc1nc(NC(=O)c2ccc(Br)cc2OC)sc1C
InChIInChI=1S/C14H15BrN2O2S/c1-4-11-8(2)20-14(16-11)17-13(18)10-6-5-9(15)7-12(10)19-3/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyZQDQPBBTESMVCD-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55843447
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide (CID 78987642) is 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide is CCc1nc(NC(=O)c2ccc(Br)cc2OC)sc1C.
What is the InChIKey of 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The InChIKey is ZQDQPBBTESMVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-4-11-8(2)20-14(16-11)17-13(18)10-6-5-9(15)7-12(10)19-3/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide has a molecular weight of 355.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 78987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).