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

C7H10BrN3OS — CID 130563823

IUPAC(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS/c1-4(9-2)6(12)11-7-10-3-5(8)13-7/h3-4,9H,1-2H3,(H,10,11,12)/t4-/m0/s1
InChIKeyACEWIVUIOXRQGG-BYPYZUCNSA-N
MW264.15 g/mol
LogP1.45
Rot. Bonds3

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

(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide (PubChem CID 130563823) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
PubChem CID130563823
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC Name(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS/c1-4(9-2)6(12)11-7-10-3-5(8)13-7/h3-4,9H,1-2H3,(H,10,11,12)/t4-/m0/s1
InChIKeyACEWIVUIOXRQGG-BYPYZUCNSA-N
XLogP1.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 65229801
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(5-bromo-1,3-thiazol-2-yl)but-2-enamide
CID 76880215
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
methyl 2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoacetate
CID 53352081
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 60654890
ethyl 2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537791
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
2-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 79801262

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide (CID 130563823) is (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?
The InChIKey is ACEWIVUIOXRQGG-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c1-4(9-2)6(12)11-7-10-3-5(8)13-7/h3-4,9H,1-2H3,(H,10,11,12)/t4-/m0/s1.
What are the key properties of (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide?
(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide has a molecular weight of 264.15 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 130563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).