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

C7H8NO2S2- — CID 7131479

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCc1nc(CSCC(=O)[O-])cs1
InChIInChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10)/p-1
InChIKeyJIKOHTMQEPJNFC-UHFFFAOYSA-M
MW202.28 g/mol
LogP0.43
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate (PubChem CID 7131479) has the molecular formula C7H8NO2S2- and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
PubChem CID7131479
Molecular FormulaC7H8NO2S2-
Molecular Weight202.28 g/mol
Exact Mass202.00
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCc1nc(CSCC(=O)[O-])cs1
InChIInChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10)/p-1
InChIKeyJIKOHTMQEPJNFC-UHFFFAOYSA-M
XLogP0.43
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 60678373
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
N-(2-hydroxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65110108
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]acetate
CID 47257401
(2S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 61136706
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
CID 80706815
(2S)-2-hydroxy-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]propanoic acid
CID 107832873
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 104630238
N-(1-hydroxy-3-methylpentan-3-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103946296
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009
dimethyl 5-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]oxybenzene-1,3-dicarboxylate
CID 9456487

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate (CID 7131479) is 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate is Cc1nc(CSCC(=O)[O-])cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The InChIKey is JIKOHTMQEPJNFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO2S2/c1-5-8-6(3-12-5)2-11-4-7(9)10/h3H,2,4H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate?
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate has a molecular weight of 202.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 7131479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).