1-(2-amino-1,3-thiazol-5-yl)propan-1-one

C6H8N2OS — CID 19012165

IUPAC1-(2-amino-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1cnc(N)s1
InChIInChI=1S/C6H8N2OS/c1-2-4(9)5-3-8-6(7)10-5/h3H,2H2,1H3,(H2,7,8)
InChIKeyUNUBBIGYXDAEDF-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.32
Rot. Bonds2

About 1-(2-amino-1,3-thiazol-5-yl)propan-1-one

1-(2-amino-1,3-thiazol-5-yl)propan-1-one (PubChem CID 19012165) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)propan-1-one
PubChem CID19012165
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1cnc(N)s1
InChIInChI=1S/C6H8N2OS/c1-2-4(9)5-3-8-6(7)10-5/h3H,2H2,1H3,(H2,7,8)
InChIKeyUNUBBIGYXDAEDF-UHFFFAOYSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)propan-1-one (CID 19012165) is 1-(2-amino-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1cnc(N)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is UNUBBIGYXDAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-2-4(9)5-3-8-6(7)10-5/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)propan-1-one?
1-(2-amino-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 156.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 19012165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).