ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate

C10H15NO2S — CID 54320013

IUPACethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
SMILESCCCc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeySQYPHZPZGJWWEJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate

ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate (PubChem CID 54320013) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
PubChem CID54320013
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate
SMILESCCCc1ncc(CC(=O)OCC)s1
InChIInChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeySQYPHZPZGJWWEJ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The IUPAC name of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate (CID 54320013) is ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate is CCCc1ncc(CC(=O)OCC)s1.
What is the InChIKey of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
The InChIKey is SQYPHZPZGJWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-5-9-11-7-8(14-9)6-10(12)13-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate?
ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate has a molecular weight of 213.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propyl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 54320013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).