2-(diethylamino)-1,3-thiazol-4-one

C7H12N2OS — CID 14761910

IUPAC2-(diethylamino)-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)CS1
InChIInChI=1S/C7H12N2OS/c1-3-9(4-2)7-8-6(10)5-11-7/h3-5H2,1-2H3
InChIKeyUWPTWVKHUFJVNV-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.96
Rot. Bonds2

About 2-(diethylamino)-1,3-thiazol-4-one

2-(diethylamino)-1,3-thiazol-4-one (PubChem CID 14761910) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(diethylamino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(diethylamino)-1,3-thiazol-4-one
PubChem CID14761910
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(diethylamino)-1,3-thiazol-4-one
SMILESCCN(CC)C1=NC(=O)CS1
InChIInChI=1S/C7H12N2OS/c1-3-9(4-2)7-8-6(10)5-11-7/h3-5H2,1-2H3
InChIKeyUWPTWVKHUFJVNV-UHFFFAOYSA-N
XLogP0.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1,3-thiazol-4-one?
The IUPAC name of 2-(diethylamino)-1,3-thiazol-4-one (CID 14761910) is 2-(diethylamino)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(diethylamino)-1,3-thiazol-4-one?
The canonical SMILES for 2-(diethylamino)-1,3-thiazol-4-one is CCN(CC)C1=NC(=O)CS1.
What is the InChIKey of 2-(diethylamino)-1,3-thiazol-4-one?
The InChIKey is UWPTWVKHUFJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-9(4-2)7-8-6(10)5-11-7/h3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)-1,3-thiazol-4-one?
2-(diethylamino)-1,3-thiazol-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1,3-thiazol-4-one is sourced from PubChem (CID 14761910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).