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

C13H13BrN2OS — CID 103854300

IUPAC2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2cscn2)c1Br
InChIInChI=1S/C13H13BrN2OS/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10-7-18-8-16-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyXYRIIXKKBYVLKF-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.19
Rot. Bonds4

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

2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 103854300) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID103854300
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2cscn2)c1Br
InChIInChI=1S/C13H13BrN2OS/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10-7-18-8-16-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyXYRIIXKKBYVLKF-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
2-bromo-3-methyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 114111115
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
CID 107983088
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 103854300) is 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2cscn2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is XYRIIXKKBYVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10-7-18-8-16-10/h2-4,7-8H,5-6H2,1H3,(H,15,17).
What are the key properties of 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 325.23 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103854300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).