3-(dimethylamino)-1,3-thiazol-2-one

C5H8N2OS — CID 167112475

IUPAC3-(dimethylamino)-1,3-thiazol-2-one
SMILESCN(C)n1ccsc1=O
InChIInChI=1S/C5H8N2OS/c1-6(2)7-3-4-9-5(7)8/h3-4H,1-2H3
InChIKeyYTXIXYZJLVXPBG-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.11
Rot. Bonds1

About 3-(dimethylamino)-1,3-thiazol-2-one

3-(dimethylamino)-1,3-thiazol-2-one (PubChem CID 167112475) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-(dimethylamino)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1,3-thiazol-2-one
PubChem CID167112475
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-(dimethylamino)-1,3-thiazol-2-one
SMILESCN(C)n1ccsc1=O
InChIInChI=1S/C5H8N2OS/c1-6(2)7-3-4-9-5(7)8/h3-4H,1-2H3
InChIKeyYTXIXYZJLVXPBG-UHFFFAOYSA-N
XLogP0.11
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1,3-thiazol-2-one?
The IUPAC name of 3-(dimethylamino)-1,3-thiazol-2-one (CID 167112475) is 3-(dimethylamino)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(dimethylamino)-1,3-thiazol-2-one?
The canonical SMILES for 3-(dimethylamino)-1,3-thiazol-2-one is CN(C)n1ccsc1=O.
What is the InChIKey of 3-(dimethylamino)-1,3-thiazol-2-one?
The InChIKey is YTXIXYZJLVXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-6(2)7-3-4-9-5(7)8/h3-4H,1-2H3.
What are the key properties of 3-(dimethylamino)-1,3-thiazol-2-one?
3-(dimethylamino)-1,3-thiazol-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1,3-thiazol-2-one is sourced from PubChem (CID 167112475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).