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

C12H13NO2S2 — CID 80574337

IUPACethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Cc2cccs2)n1
InChIInChI=1S/C12H13NO2S2/c1-2-15-12(14)6-9-8-17-11(13-9)7-10-4-3-5-16-10/h3-5,8H,2,6-7H2,1H3
InChIKeyDQHUFNBMTAWEBE-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.90
Rot. Bonds5

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

ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80574337) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
PubChem CID80574337
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Nameethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Cc2cccs2)n1
InChIInChI=1S/C12H13NO2S2/c1-2-15-12(14)6-9-8-17-11(13-9)7-10-4-3-5-16-10/h3-5,8H,2,6-7H2,1H3
InChIKeyDQHUFNBMTAWEBE-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 103485505
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
ethyl 2-(thionin-2-yl)acetate
CID 174897632
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]acetate
CID 147288779
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
ethyl 2-[2-[2-oxo-3-(4-phenylphenoxy)propyl]-1,3-thiazol-4-yl]acetate
CID 45381899
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate (CID 80574337) is ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Cc2cccs2)n1.
What is the InChIKey of ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is DQHUFNBMTAWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-2-15-12(14)6-9-8-17-11(13-9)7-10-4-3-5-16-10/h3-5,8H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 267.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).