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

C8H11NO2S2 — CID 717361

IUPACethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(C)cs1
InChIInChI=1S/C8H11NO2S2/c1-3-11-7(10)5-13-8-9-6(2)4-12-8/h4H,3,5H2,1-2H3
InChIKeyAEHJWTJQWILCQF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.11
Rot. Bonds4

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

ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (PubChem CID 717361) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
PubChem CID717361
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Nameethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(C)cs1
InChIInChI=1S/C8H11NO2S2/c1-3-11-7(10)5-13-8-9-6(2)4-12-8/h4H,3,5H2,1-2H3
InChIKeyAEHJWTJQWILCQF-UHFFFAOYSA-N
XLogP2.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methyl-thiazol-2-ylsulfanyl)-acetic acid
CID 645306
Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
{[(2-Methyl-1,3-thiazol-4-yl)methyl]thio}acetic acid
CID 7131480
Ethyl 4-methyl-1,3-thiazole-2-carboxylate
CID 567306
3-(((2-Methyl-1,3-thiazol-4-yl)methyl)sulfanyl)propanoic acid
CID 13052088
(4-Methyl-1,3-thiazol-2-yl)methyl acetate
CID 60014994
Ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
CID 67486404
[4-(Difluoromethyl)-1,3-thiazol-2-yl] acetate
CID 174788246
Methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate
CID 75384893
Methyl 4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]butanoate
CID 75430375
Ethyl 2-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 79357336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate (CID 717361) is ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is CCOC(=O)CSc1nc(C)cs1.
What is the InChIKey of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
The InChIKey is AEHJWTJQWILCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S2/c1-3-11-7(10)5-13-8-9-6(2)4-12-8/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate?
ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate has a molecular weight of 217.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 717361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).