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

C7H10BrN3OS — CID 22170564

IUPAC4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS/c8-5-4-10-7(13-5)11-6(12)2-1-3-9/h4H,1-3,9H2,(H,10,11,12)
InChIKeyHOOCQERBZBZJHC-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.58
Rot. Bonds4

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

4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide (PubChem CID 22170564) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide
PubChem CID22170564
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS/c8-5-4-10-7(13-5)11-6(12)2-1-3-9/h4H,1-3,9H2,(H,10,11,12)
InChIKeyHOOCQERBZBZJHC-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(5-bromo-1,3-thiazol-2-yl)pentanamide
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2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
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(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide (CID 22170564) is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide is NCCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide?
The InChIKey is HOOCQERBZBZJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c8-5-4-10-7(13-5)11-6(12)2-1-3-9/h4H,1-3,9H2,(H,10,11,12).
What are the key properties of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide?
4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide has a molecular weight of 264.15 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 22170564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).