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

C13H13BrN2O2S — CID 47290705

IUPAC3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(C)n2)cc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-8-16-10(7-19-8)6-15-13(17)9-3-4-12(18-2)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyQLUILLAQBWAFEE-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.15
Rot. Bonds4

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

3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 47290705) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID47290705
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2csc(C)n2)cc1Br
InChIInChI=1S/C13H13BrN2O2S/c1-8-16-10(7-19-8)6-15-13(17)9-3-4-12(18-2)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyQLUILLAQBWAFEE-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107025625
methyl 3-bromo-4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]benzoate
CID 102766563

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 47290705) is 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCc2csc(C)n2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is QLUILLAQBWAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-8-16-10(7-19-8)6-15-13(17)9-3-4-12(18-2)11(14)5-9/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 341.23 g/mol, XLogP of 3.15, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47290705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).