3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one

C6H10N2OS — CID 43213975

IUPAC3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN
InChIInChI=1S/C6H10N2OS/c1-5-4-10-6(9)8(5)3-2-7/h4H,2-3,7H2,1H3
InChIKeyLNQYRXUCOWTSPZ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.18
Rot. Bonds2

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

3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43213975) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43213975
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN
InChIInChI=1S/C6H10N2OS/c1-5-4-10-6(9)8(5)3-2-7/h4H,2-3,7H2,1H3
InChIKeyLNQYRXUCOWTSPZ-UHFFFAOYSA-N
XLogP0.18
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.18
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-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one (CID 43213975) is 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN.
What is the InChIKey of 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is LNQYRXUCOWTSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-4-10-6(9)8(5)3-2-7/h4H,2-3,7H2,1H3.
What are the key properties of 3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one?
3-(2-aminoethyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.18, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43213975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).