1,2-bis(1,3-thiazol-2-yl)ethyl acetate

C10H10N2O2S2 — CID 174957810

IUPAC1,2-bis(1,3-thiazol-2-yl)ethyl acetate
SMILESCC(=O)OC(Cc1nccs1)c1nccs1
InChIInChI=1S/C10H10N2O2S2/c1-7(13)14-8(10-12-3-5-16-10)6-9-11-2-4-15-9/h2-5,8H,6H2,1H3
InChIKeyXRNCWZKXSOVYIJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.45
Rot. Bonds4

About 1,2-bis(1,3-thiazol-2-yl)ethyl acetate

1,2-bis(1,3-thiazol-2-yl)ethyl acetate (PubChem CID 174957810) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,2-bis(1,3-thiazol-2-yl)ethyl acetate.

Molecular Properties

Compound Name1,2-bis(1,3-thiazol-2-yl)ethyl acetate
PubChem CID174957810
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name1,2-bis(1,3-thiazol-2-yl)ethyl acetate
SMILESCC(=O)OC(Cc1nccs1)c1nccs1
InChIInChI=1S/C10H10N2O2S2/c1-7(13)14-8(10-12-3-5-16-10)6-9-11-2-4-15-9/h2-5,8H,6H2,1H3
InChIKeyXRNCWZKXSOVYIJ-UHFFFAOYSA-N
XLogP2.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,3-thiazol-2-yl)ethyl acetate?
The IUPAC name of 1,2-bis(1,3-thiazol-2-yl)ethyl acetate (CID 174957810) is 1,2-bis(1,3-thiazol-2-yl)ethyl acetate.
What is the SMILES notation for 1,2-bis(1,3-thiazol-2-yl)ethyl acetate?
The canonical SMILES for 1,2-bis(1,3-thiazol-2-yl)ethyl acetate is CC(=O)OC(Cc1nccs1)c1nccs1.
What is the InChIKey of 1,2-bis(1,3-thiazol-2-yl)ethyl acetate?
The InChIKey is XRNCWZKXSOVYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-7(13)14-8(10-12-3-5-16-10)6-9-11-2-4-15-9/h2-5,8H,6H2,1H3.
What are the key properties of 1,2-bis(1,3-thiazol-2-yl)ethyl acetate?
1,2-bis(1,3-thiazol-2-yl)ethyl acetate has a molecular weight of 254.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,3-thiazol-2-yl)ethyl acetate is sourced from PubChem (CID 174957810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).