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

C6H8BrN3OS — CID 61146667

IUPAC(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c1-3(8)5(11)10-6-9-2-4(7)12-6/h2-3H,8H2,1H3,(H,9,10,11)/t3-/m0/s1
InChIKeyOCOZPGQCKYWXSN-VKHMYHEASA-N
MW250.12 g/mol
LogP1.19
Rot. Bonds2

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

(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide (PubChem CID 61146667) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
PubChem CID61146667
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c1-3(8)5(11)10-6-9-2-4(7)12-6/h2-3H,8H2,1H3,(H,9,10,11)/t3-/m0/s1
InChIKeyOCOZPGQCKYWXSN-VKHMYHEASA-N
XLogP1.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-5-bromo-1,3-thiazole
CID 350260
N-(5-bromo-1,3-thiazol-2-yl)pentanamide
CID 2225496
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
N-(5-Bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 54595974
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 61178108
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide (CID 61146667) is (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide is C[C@H](N)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
The InChIKey is OCOZPGQCKYWXSN-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8BrN3OS/c1-3(8)5(11)10-6-9-2-4(7)12-6/h2-3H,8H2,1H3,(H,9,10,11)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide has a molecular weight of 250.12 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 61146667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).