ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate

C10H16N2O2S — CID 107380027

IUPACethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(C)(C)N)n1
InChIInChI=1S/C10H16N2O2S/c1-4-14-8(13)5-7-6-15-9(12-7)10(2,3)11/h6H,4-5,11H2,1-3H3
InChIKeyOANWJYJORYPSRR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 107380027) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
PubChem CID107380027
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C(C)(C)N)n1
InChIInChI=1S/C10H16N2O2S/c1-4-14-8(13)5-7-6-15-9(12-7)10(2,3)11/h6H,4-5,11H2,1-3H3
InChIKeyOANWJYJORYPSRR-UHFFFAOYSA-N
XLogP1.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
CID 80573665
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2814005
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
CID 129388918
ethyl (2R)-2-bromo-2-(4-ethyl-1,3-thiazol-2-yl)propanoate
CID 129388879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate (CID 107380027) is ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C(C)(C)N)n1.
What is the InChIKey of ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is OANWJYJORYPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-14-8(13)5-7-6-15-9(12-7)10(2,3)11/h6H,4-5,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107380027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).