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

C13H12Br2N2OS — CID 103908469

IUPAC3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H12Br2N2OS/c1-7-6-16-13(19-7)8(2)17-12(18)9-3-10(14)5-11(15)4-9/h3-6,8H,1-2H3,(H,17,18)
InChIKeyMAWWBAMIKVDBHH-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.47
Rot. Bonds3

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

3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103908469) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103908469
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC Name3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H12Br2N2OS/c1-7-6-16-13(19-7)8(2)17-12(18)9-3-10(14)5-11(15)4-9/h3-6,8H,1-2H3,(H,17,18)
InChIKeyMAWWBAMIKVDBHH-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
3-bromo-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 102823310
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
2-bromo-3-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113387325
2-[4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 146107303
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 103908469) is 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2cc(Br)cc(Br)c2)s1.
What is the InChIKey of 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is MAWWBAMIKVDBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-7-6-16-13(19-7)8(2)17-12(18)9-3-10(14)5-11(15)4-9/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 404.13 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103908469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).