4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide

C12H12BrN3O2S — CID 6620704

IUPAC4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NC1=NCCS1
InChIInChI=1S/C12H12BrN3O2S/c13-9-3-1-8(2-4-9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17)
InChIKeyQYQVLDWYHXEOLA-UHFFFAOYSA-N
MW342.22 g/mol
LogP1.40
Rot. Bonds3

About 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide

4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 6620704) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
PubChem CID6620704
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NC1=NCCS1
InChIInChI=1S/C12H12BrN3O2S/c13-9-3-1-8(2-4-9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17)
InChIKeyQYQVLDWYHXEOLA-UHFFFAOYSA-N
XLogP1.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 771662
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 902925
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
Benzamide, 4-bromo-N-(4,5-dihydro-2-thiazolyl)-
CID 924606
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
4-Bromo-N-[1-(4,5-dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2941206
(3-bromophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3245799
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 2115790
4-Bromo-N-[1-(4,5-dihydro-thiazol-2-ylcarbamoyl)-ethyl]-benzamide
CID 2942194
N-(1-((4,5-dihydrothiazol-2-yl)amino)-1-oxopropan-2-yl)benzamide
CID 3246749

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide (CID 6620704) is 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NC1=NCCS1.
What is the InChIKey of 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is QYQVLDWYHXEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-9-3-1-8(2-4-9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17).
What are the key properties of 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 342.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 6620704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).