(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide

C8H12BrN3OS2 — CID 61178108

IUPAC(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H12BrN3OS2/c1-14-3-2-5(10)7(13)12-8-11-4-6(9)15-8/h4-5H,2-3,10H2,1H3,(H,11,12,13)/t5-/m0/s1
InChIKeyMOFQEGZNLNFJMC-YFKPBYRVSA-N
MW310.24 g/mol
LogP1.92
Rot. Bonds5

About (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide (PubChem CID 61178108) has the molecular formula C8H12BrN3OS2 and a molecular weight of 310.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
PubChem CID61178108
Molecular FormulaC8H12BrN3OS2
Molecular Weight310.24 g/mol
Exact Mass308.96
IUPAC Name(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C8H12BrN3OS2/c1-14-3-2-5(10)7(13)12-8-11-4-6(9)15-8/h4-5H,2-3,10H2,1H3,(H,11,12,13)/t5-/m0/s1
InChIKeyMOFQEGZNLNFJMC-YFKPBYRVSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)pentanamide
CID 2225496
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 24701450
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 61146667
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 61178288
(2S)-N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61178289
N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide
CID 72947093
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-5-methylhexanamide
CID 137651783
(2S)-2,6-diamino-N-(5-bromo-1,3-thiazol-2-yl)hexanamide
CID 137657675
2-amino-N-(1,3-thiazol-2-yl)pentanamide
CID 43649979
2-amino-N-(1,3-thiazol-2-yl)pentanamide dihydrochloride
CID 71756901

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide (CID 61178108) is (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is MOFQEGZNLNFJMC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12BrN3OS2/c1-14-3-2-5(10)7(13)12-8-11-4-6(9)15-8/h4-5H,2-3,10H2,1H3,(H,11,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 310.24 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61178108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).