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

C13H13BrN2OS — CID 110718390

IUPAC4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2OS/c1-9-12(18-8-16-9)6-7-15-13(17)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyXHFLMVTYJPMDNH-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.19
Rot. Bonds4

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

4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110718390) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110718390
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1ncsc1CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2OS/c1-9-12(18-8-16-9)6-7-15-13(17)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyXHFLMVTYJPMDNH-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

4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879
1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 28666996
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122570345
4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122560927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110718390) is 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1ncsc1CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is XHFLMVTYJPMDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-9-12(18-8-16-9)6-7-15-13(17)10-2-4-11(14)5-3-10/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide?
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-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 4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110718390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).