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

C13H13BrN2OS — CID 103709233

IUPAC2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCCc1cnc(CNC(=O)c2ccccc2Br)s1
InChIInChI=1S/C13H13BrN2OS/c1-2-9-7-15-12(18-9)8-16-13(17)10-5-3-4-6-11(10)14/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyQWZVRPAVCKFRLA-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.40
Rot. Bonds4

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

2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 103709233) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID103709233
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCCc1cnc(CNC(=O)c2ccccc2Br)s1
InChIInChI=1S/C13H13BrN2OS/c1-2-9-7-15-12(18-9)8-16-13(17)10-5-3-4-6-11(10)14/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyQWZVRPAVCKFRLA-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
2-(2-amino-2-oxoethoxy)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119138842
2-[2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119186969
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide (CID 103709233) is 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide is CCc1cnc(CNC(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is QWZVRPAVCKFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-2-9-7-15-12(18-9)8-16-13(17)10-5-3-4-6-11(10)14/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide?
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 325.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 103709233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).