5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C14H15BrN2OS — CID 65309172

IUPAC5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Br)ccc2C)s1
InChIInChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)8-12-7-16-10(2)19-12/h4-7H,8H2,1-3H3
InChIKeyARCFIMGGIKHNLC-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 65309172) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID65309172
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Br)ccc2C)s1
InChIInChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)8-12-7-16-10(2)19-12/h4-7H,8H2,1-3H3
InChIKeyARCFIMGGIKHNLC-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
4-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54878086
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61067597
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 65309172) is 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CN(C)C(=O)c2cc(Br)ccc2C)s1.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is ARCFIMGGIKHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)8-12-7-16-10(2)19-12/h4-7H,8H2,1-3H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 339.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 65309172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).