2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one

C5H9N3OS — CID 3023530

IUPAC2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one
SMILESNCCC1SC(N)=NC1=O
InChIInChI=1S/C5H9N3OS/c6-2-1-3-4(9)8-5(7)10-3/h3H,1-2,6H2,(H2,7,8,9)
InChIKeyJMTHCNJTYUQBEC-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.71
Rot. Bonds2

About 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one

2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one (PubChem CID 3023530) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one
PubChem CID3023530
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one
SMILESNCCC1SC(N)=NC1=O
InChIInChI=1S/C5H9N3OS/c6-2-1-3-4(9)8-5(7)10-3/h3H,1-2,6H2,(H2,7,8,9)
InChIKeyJMTHCNJTYUQBEC-UHFFFAOYSA-N
XLogP-0.71
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one (CID 3023530) is 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one is NCCC1SC(N)=NC1=O.
What is the InChIKey of 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one?
The InChIKey is JMTHCNJTYUQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c6-2-1-3-4(9)8-5(7)10-3/h3H,1-2,6H2,(H2,7,8,9).
What are the key properties of 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one?
2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one has a molecular weight of 159.21 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-aminoethyl)-1,3-thiazol-4-one is sourced from PubChem (CID 3023530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).