2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate

C8H12N2O2S — CID 12513480

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1sc(N)nc1C
InChIInChI=1S/C8H12N2O2S/c1-5-7(13-8(9)10-5)3-4-12-6(2)11/h3-4H2,1-2H3,(H2,9,10)
InChIKeyPFAXRBFQAAGNBE-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.14
Rot. Bonds3

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate

2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate (PubChem CID 12513480) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate
PubChem CID12513480
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1sc(N)nc1C
InChIInChI=1S/C8H12N2O2S/c1-5-7(13-8(9)10-5)3-4-12-6(2)11/h3-4H2,1-2H3,(H2,9,10)
InChIKeyPFAXRBFQAAGNBE-UHFFFAOYSA-N
XLogP1.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate (CID 12513480) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate is CC(=O)OCCc1sc(N)nc1C.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate?
The InChIKey is PFAXRBFQAAGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5-7(13-8(9)10-5)3-4-12-6(2)11/h3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate has a molecular weight of 200.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)ethyl acetate is sourced from PubChem (CID 12513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).