2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one

C10H19N3OS — CID 67345434

IUPAC2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one
SMILESCCN(CC)CCN(C)C1=NC(=O)CS1
InChIInChI=1S/C10H19N3OS/c1-4-13(5-2)7-6-12(3)10-11-9(14)8-15-10/h4-8H2,1-3H3
InChIKeyFQHFCRIMAOQMDN-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.89
Rot. Bonds5

About 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one

2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one (PubChem CID 67345434) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one
PubChem CID67345434
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one
SMILESCCN(CC)CCN(C)C1=NC(=O)CS1
InChIInChI=1S/C10H19N3OS/c1-4-13(5-2)7-6-12(3)10-11-9(14)8-15-10/h4-8H2,1-3H3
InChIKeyFQHFCRIMAOQMDN-UHFFFAOYSA-N
XLogP0.89
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one?
The IUPAC name of 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one (CID 67345434) is 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one is CCN(CC)CCN(C)C1=NC(=O)CS1.
What is the InChIKey of 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one?
The InChIKey is FQHFCRIMAOQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-13(5-2)7-6-12(3)10-11-9(14)8-15-10/h4-8H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one?
2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one has a molecular weight of 229.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-methylamino]-1,3-thiazol-4-one is sourced from PubChem (CID 67345434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).