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

C9H14N2O2S — CID 2324658

IUPACethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)5-7-6-14-9(10-7)11(2)3/h6H,4-5H2,1-3H3
InChIKeyCTYMSWDHFSBASJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.31
Rot. Bonds4

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

ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2324658) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2324658
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(C)C)n1
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)5-7-6-14-9(10-7)11(2)3/h6H,4-5H2,1-3H3
InChIKeyCTYMSWDHFSBASJ-UHFFFAOYSA-N
XLogP1.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate (CID 2324658) is ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(C)C)n1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is CTYMSWDHFSBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-8(12)5-7-6-14-9(10-7)11(2)3/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 214.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2324658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).