ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

C10H15NO2S — CID 10727325

IUPACethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)5-8-6-14-10(11-8)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyWBOKRIJKCMYJJM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.37
Rot. Bonds4

About ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 10727325) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID10727325
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(C(C)C)n1
InChIInChI=1S/C10H15NO2S/c1-4-13-9(12)5-8-6-14-10(11-8)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyWBOKRIJKCMYJJM-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 55687094
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
ethyl 2-[2-(1-piperazin-1-ylpropyl)-1,3-thiazol-4-yl]acetate
CID 107380194
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (CID 10727325) is ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(C(C)C)n1.
What is the InChIKey of ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is WBOKRIJKCMYJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-13-9(12)5-8-6-14-10(11-8)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 213.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 10727325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).