1,3-thiazol-5-ylmethyl acetate

C6H7NO2S — CID 59090893

IUPAC1,3-thiazol-5-ylmethyl acetate
SMILESCC(=O)OCc1cncs1
InChIInChI=1S/C6H7NO2S/c1-5(8)9-3-6-2-7-4-10-6/h2,4H,3H2,1H3
InChIKeyMTGIKJZHIBPNBQ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.21
Rot. Bonds2

About 1,3-thiazol-5-ylmethyl acetate

1,3-thiazol-5-ylmethyl acetate (PubChem CID 59090893) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl acetate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl acetate
PubChem CID59090893
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name1,3-thiazol-5-ylmethyl acetate
SMILESCC(=O)OCc1cncs1
InChIInChI=1S/C6H7NO2S/c1-5(8)9-3-6-2-7-4-10-6/h2,4H,3H2,1H3
InChIKeyMTGIKJZHIBPNBQ-UHFFFAOYSA-N
XLogP1.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl acetate?
The IUPAC name of 1,3-thiazol-5-ylmethyl acetate (CID 59090893) is 1,3-thiazol-5-ylmethyl acetate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl acetate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl acetate is CC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl acetate?
The InChIKey is MTGIKJZHIBPNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-5(8)9-3-6-2-7-4-10-6/h2,4H,3H2,1H3.
What are the key properties of 1,3-thiazol-5-ylmethyl acetate?
1,3-thiazol-5-ylmethyl acetate has a molecular weight of 157.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl acetate is sourced from PubChem (CID 59090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).