3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one

C7H12N2OS — CID 63312421

IUPAC3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCN)c1C
InChIInChI=1S/C7H12N2OS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4,8H2,1-2H3
InChIKeyZABWHFGOVKGSLQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.49
Rot. Bonds2

About 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312421) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312421
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCN)c1C
InChIInChI=1S/C7H12N2OS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4,8H2,1-2H3
InChIKeyZABWHFGOVKGSLQ-UHFFFAOYSA-N
XLogP0.49
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63312421) is 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCN)c1C.
What is the InChIKey of 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ZABWHFGOVKGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-6(2)11-7(10)9(5)4-3-8/h3-4,8H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).