1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one

C6H7BrN2OS — CID 159737342

IUPAC1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
SMILESNCC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C6H7BrN2OS/c7-5-3-11-6(9-5)1-4(10)2-8/h3H,1-2,8H2
InChIKeyZTRIBSXSHCEOIJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP0.98
Rot. Bonds3

About 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one

1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one (PubChem CID 159737342) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
PubChem CID159737342
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
SMILESNCC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C6H7BrN2OS/c7-5-3-11-6(9-5)1-4(10)2-8/h3H,1-2,8H2
InChIKeyZTRIBSXSHCEOIJ-UHFFFAOYSA-N
XLogP0.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one (CID 159737342) is 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one is NCC(=O)Cc1nc(Br)cs1.
What is the InChIKey of 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is ZTRIBSXSHCEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c7-5-3-11-6(9-5)1-4(10)2-8/h3H,1-2,8H2.
What are the key properties of 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one?
1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 235.11 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 159737342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).