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

C12H18N2O3S — CID 732359

IUPACethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-5-17-9(15)6-8-7-18-11(13-8)14-10(16)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,16)
InChIKeyCOJJKPOPRIFARW-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.23
Rot. Bonds4

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

ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 732359) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID732359
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-5-17-9(15)6-8-7-18-11(13-8)14-10(16)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,16)
InChIKeyCOJJKPOPRIFARW-UHFFFAOYSA-N
XLogP2.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazoleacetic acid, 2-amino-, ethyl ester
CID 104454
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate hydrochloride
CID 6602854
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
CID 470180
Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate
CID 5582977
5-{[4-(2-Ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-5-oxopentanoic acid
CID 2814004
5-[[4-(2-Ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2814005
Ethyl {2-[(4-morpholinylacetyl)amino]-1,3-thiazol-4-yl}acetate
CID 6470921
Ethyl 2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145085
Ethyl [2-(butanoylamino)-1,3-thiazol-4-yl]acetate
CID 2253148
Methyl 2-(2-amino-1,3-thiazol-4-yl)acetate
CID 738059
[2-(2,2-Dimethyl-butyrylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 787338
Ethyl 2-[2-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 1717182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate (CID 732359) is ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is COJJKPOPRIFARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-17-9(15)6-8-7-18-11(13-8)14-10(16)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,14,16).
What are the key properties of ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 270.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 732359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).