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

C13H13BrN2OS — CID 81004513

IUPAC2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2nccs2)c1
InChIInChI=1S/C13H13BrN2OS/c1-8-3-4-11(14)10(7-8)12(17)16-9(2)13-15-5-6-18-13/h3-7,9H,1-2H3,(H,16,17)
InChIKeyVRPACDKKPTWLNH-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.71
Rot. Bonds3

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

2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 81004513) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID81004513
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2nccs2)c1
InChIInChI=1S/C13H13BrN2OS/c1-8-3-4-11(14)10(7-8)12(17)16-9(2)13-15-5-6-18-13/h3-7,9H,1-2H3,(H,16,17)
InChIKeyVRPACDKKPTWLNH-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103989737
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030816
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 81004513) is 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is Cc1ccc(Br)c(C(=O)NC(C)c2nccs2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is VRPACDKKPTWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-8-3-4-11(14)10(7-8)12(17)16-9(2)13-15-5-6-18-13/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 325.23 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 81004513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).