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

C13H12Br2N2OS — CID 113349585

IUPAC3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H12Br2N2OS/c1-8-16-6-12(19-8)7-17(2)13(18)9-3-10(14)5-11(15)4-9/h3-6H,7H2,1-2H3
InChIKeyBZIGJRUENOIAHQ-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.25
Rot. Bonds3

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

3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 113349585) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID113349585
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC Name3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CN(C)C(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H12Br2N2OS/c1-8-16-6-12(19-8)7-17(2)13(18)9-3-10(14)5-11(15)4-9/h3-6H,7H2,1-2H3
InChIKeyBZIGJRUENOIAHQ-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-5-yl)methyl]benzamide
CID 65309172
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998544
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2H-indazole-5-carboxamide
CID 154842688
4-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 60794318
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
5-amino-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61110078

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 113349585) is 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CN(C)C(=O)c2cc(Br)cc(Br)c2)s1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is BZIGJRUENOIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-8-16-6-12(19-8)7-17(2)13(18)9-3-10(14)5-11(15)4-9/h3-6H,7H2,1-2H3.
What are the key properties of 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 404.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 113349585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).