(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide

C13H14BrN3OS — CID 87753715

IUPAC(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
SMILESN[C@H](CCc1ccccc1)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c14-11-8-16-13(19-11)17-12(18)10(15)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,15H2,(H,16,17,18)/t10-/m1/s1
InChIKeyJSQUJWNLJUOGGF-SNVBAGLBSA-N
MW340.25 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide

(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide (PubChem CID 87753715) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
PubChem CID87753715
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide
SMILESN[C@H](CCc1ccccc1)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C13H14BrN3OS/c14-11-8-16-13(19-11)17-12(18)10(15)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,15H2,(H,16,17,18)/t10-/m1/s1
InChIKeyJSQUJWNLJUOGGF-SNVBAGLBSA-N
XLogP2.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
(2S)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984747
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119270233
5-bromo-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 25093341
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 119956548
2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide (CID 87753715) is (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide is N[C@H](CCc1ccccc1)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide?
The InChIKey is JSQUJWNLJUOGGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c14-11-8-16-13(19-11)17-12(18)10(15)7-6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,15H2,(H,16,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide?
(2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide has a molecular weight of 340.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 87753715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).