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

C14H15BrN2OS — CID 65309481

IUPAC5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C)C(=O)c2cc(Br)ccc2C)cs1
InChIInChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)7-12-8-19-10(2)16-12/h4-6,8H,7H2,1-3H3
InChIKeyXZZHITVNJMCNCA-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 65309481) 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-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID65309481
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CN(C)C(=O)c2cc(Br)ccc2C)cs1
InChIInChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)7-12-8-19-10(2)16-12/h4-6,8H,7H2,1-3H3
InChIKeyXZZHITVNJMCNCA-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

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 65309172
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
N-(4-bromo-2-methylphenyl)-3-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 109423505
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 65309481) is 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CN(C)C(=O)c2cc(Br)ccc2C)cs1.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is XZZHITVNJMCNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-4-5-11(15)6-13(9)14(18)17(3)7-12-8-19-10(2)16-12/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-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-4-yl)methyl]benzamide is sourced from PubChem (CID 65309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).