2-amino-5-propyl-1,3-thiazol-4-one

C6H10N2OS — CID 15728453

IUPAC2-amino-5-propyl-1,3-thiazol-4-one
SMILESCCCC1SC(N)=NC1=O
InChIInChI=1S/C6H10N2OS/c1-2-3-4-5(9)8-6(7)10-4/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVNLVDKJJHGIOPL-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.74
Rot. Bonds2

About 2-amino-5-propyl-1,3-thiazol-4-one

2-amino-5-propyl-1,3-thiazol-4-one (PubChem CID 15728453) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-amino-5-propyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-propyl-1,3-thiazol-4-one
PubChem CID15728453
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-amino-5-propyl-1,3-thiazol-4-one
SMILESCCCC1SC(N)=NC1=O
InChIInChI=1S/C6H10N2OS/c1-2-3-4-5(9)8-6(7)10-4/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKeyVNLVDKJJHGIOPL-UHFFFAOYSA-N
XLogP0.74
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propyl-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-propyl-1,3-thiazol-4-one (CID 15728453) is 2-amino-5-propyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-propyl-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-propyl-1,3-thiazol-4-one is CCCC1SC(N)=NC1=O.
What is the InChIKey of 2-amino-5-propyl-1,3-thiazol-4-one?
The InChIKey is VNLVDKJJHGIOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-3-4-5(9)8-6(7)10-4/h4H,2-3H2,1H3,(H2,7,8,9).
What are the key properties of 2-amino-5-propyl-1,3-thiazol-4-one?
2-amino-5-propyl-1,3-thiazol-4-one has a molecular weight of 158.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propyl-1,3-thiazol-4-one is sourced from PubChem (CID 15728453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).