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

C9H16N2OS — CID 104693541

IUPAC3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one
SMILESCCN(CC)CCn1ccsc1=O
InChIInChI=1S/C9H16N2OS/c1-3-10(4-2)5-6-11-7-8-13-9(11)12/h7-8H,3-6H2,1-2H3
InChIKeySQJFIPMFOJKVEL-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds5

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

3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 104693541) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one
PubChem CID104693541
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one
SMILESCCN(CC)CCn1ccsc1=O
InChIInChI=1S/C9H16N2OS/c1-3-10(4-2)5-6-11-7-8-13-9(11)12/h7-8H,3-6H2,1-2H3
InChIKeySQJFIPMFOJKVEL-UHFFFAOYSA-N
XLogP1.25
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2H-1,3-thiazol-3-yl)ethanamine
CID 174835033
3-[2-(Ethylamino)ethyl]-1,3-thiazol-2-one
CID 63312549
4-[2-(Diethylamino)ethyl]-1,4-thiazin-3-one
CID 84406413
N,N-diethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646837
N-ethyl-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115659260
3-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-one
CID 115749761
3-[2-(4-Methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
CID 116622649

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one (CID 104693541) is 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one is CCN(CC)CCn1ccsc1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is SQJFIPMFOJKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-10(4-2)5-6-11-7-8-13-9(11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one?
3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 104693541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).