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

C7H11Br2N3OS — CID 22170796

IUPAC4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide
SMILESBr.NCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS.BrH/c8-5-4-10-7(13-5)11-6(12)2-1-3-9;/h4H,1-3,9H2,(H,10,11,12);1H
InChIKeyXMHIPYNYWPBNHH-UHFFFAOYSA-N
MW345.06 g/mol
LogP2.16
Rot. Bonds4

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

4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide (PubChem CID 22170796) has the molecular formula C7H11Br2N3OS and a molecular weight of 345.06 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide
PubChem CID22170796
Molecular FormulaC7H11Br2N3OS
Molecular Weight345.06 g/mol
Exact Mass342.90
IUPAC Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide
SMILESBr.NCCCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H10BrN3OS.BrH/c8-5-4-10-7(13-5)11-6(12)2-1-3-9;/h4H,1-3,9H2,(H,10,11,12);1H
InChIKeyXMHIPYNYWPBNHH-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.06
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide?
The IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide (CID 22170796) is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide.
What is the SMILES notation for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide?
The canonical SMILES for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide is Br.NCCCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide?
The InChIKey is XMHIPYNYWPBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS.BrH/c8-5-4-10-7(13-5)11-6(12)2-1-3-9;/h4H,1-3,9H2,(H,10,11,12);1H.
What are the key properties of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide?
4-amino-N-(5-bromo-1,3-thiazol-2-yl)butanamide;hydrobromide has a molecular weight of 345.06 g/mol, XLogP of 2.16, 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;hydrobromide is sourced from PubChem (CID 22170796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).