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

C17H13BrN2O2S — CID 28544978

IUPAC3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1Br
InChIInChI=1S/C17H13BrN2O2S/c1-22-15-7-4-12(10-14(15)18)16(21)20-13-5-2-11(3-6-13)17-19-8-9-23-17/h2-10H,1H3,(H,20,21)
InChIKeyMWNMLCHWYRQBAW-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.83
Rot. Bonds4

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

3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 28544978) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID28544978
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1Br
InChIInChI=1S/C17H13BrN2O2S/c1-22-15-7-4-12(10-14(15)18)16(21)20-13-5-2-11(3-6-13)17-19-8-9-23-17/h2-10H,1H3,(H,20,21)
InChIKeyMWNMLCHWYRQBAW-UHFFFAOYSA-N
XLogP4.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3885937
2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 17341898
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 28544978) is 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is MWNMLCHWYRQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c1-22-15-7-4-12(10-14(15)18)16(21)20-13-5-2-11(3-6-13)17-19-8-9-23-17/h2-10H,1H3,(H,20,21).
What are the key properties of 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 389.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 28544978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).