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

C6H8N2OS — CID 96735461

IUPAC3-amino-1-(1,2-thiazol-5-yl)propan-1-one
SMILESNCCC(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c7-3-1-5(9)6-2-4-8-10-6/h2,4H,1,3,7H2
InChIKeyDKJJWMCJKHZKFG-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.67
Rot. Bonds3

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

3-amino-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 96735461) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-amino-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID96735461
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-amino-1-(1,2-thiazol-5-yl)propan-1-one
SMILESNCCC(=O)c1ccns1
InChIInChI=1S/C6H8N2OS/c7-3-1-5(9)6-2-4-8-10-6/h2,4H,1,3,7H2
InChIKeyDKJJWMCJKHZKFG-UHFFFAOYSA-N
XLogP0.67
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(1,2-thiazol-5-yl)propan-1-one (CID 96735461) is 3-amino-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(1,2-thiazol-5-yl)propan-1-one is NCCC(=O)c1ccns1.
What is the InChIKey of 3-amino-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is DKJJWMCJKHZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c7-3-1-5(9)6-2-4-8-10-6/h2,4H,1,3,7H2.
What are the key properties of 3-amino-1-(1,2-thiazol-5-yl)propan-1-one?
3-amino-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 156.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 96735461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).