N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide

C13H13BrN2OS — CID 54917989

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(Br)s1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c1-2-10(9-6-4-3-5-7-9)12(17)16-13-15-8-11(14)18-13/h3-8,10H,2H2,1H3,(H,15,16,17)
InChIKeyQDGPYFZOTMUYBA-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.04
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 54917989) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID54917989
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ncc(Br)s1)c1ccccc1
InChIInChI=1S/C13H13BrN2OS/c1-2-10(9-6-4-3-5-7-9)12(17)16-13-15-8-11(14)18-13/h3-8,10H,2H2,1H3,(H,15,16,17)
InChIKeyQDGPYFZOTMUYBA-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 87753715
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
CID 130563823

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 54917989) is N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1ncc(Br)s1)c1ccccc1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is QDGPYFZOTMUYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-2-10(9-6-4-3-5-7-9)12(17)16-13-15-8-11(14)18-13/h3-8,10H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 325.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 54917989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).