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

C8H12N2O2S2 — CID 43409799

IUPACethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(N)n1
InChIInChI=1S/C8H12N2O2S2/c1-2-12-7(11)5-13-3-6-4-14-8(9)10-6/h4H,2-3,5H2,1H3,(H2,9,10)
InChIKeyJVTYDZCKYYGDFE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.52
Rot. Bonds5

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

ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate (PubChem CID 43409799) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
PubChem CID43409799
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Nameethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1csc(N)n1
InChIInChI=1S/C8H12N2O2S2/c1-2-12-7(11)5-13-3-6-4-14-8(9)10-6/h4H,2-3,5H2,1H3,(H2,9,10)
InChIKeyJVTYDZCKYYGDFE-UHFFFAOYSA-N
XLogP1.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Famotidine propionic acid
CID 13852966
2-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}acetic acid
CID 38996181
Methyl 3-[(2-amino-4-methyl-1,3-thiazol-5-yl)selanyl]propanoate
CID 155550348
Thiazole, 2-amino-4-methyl-, monoformate
CID 3048486
Methyl 3-(((2-((diaminomethylidene)amino)thiazol-4-yl)methyl)sulfanyl)propanoate
CID 12790764
Methyl 3-{[2-(diaminomethyleneamino)thiazol-4-YL]methylthio}propanimidate
CID 12881442
Methyl 3-[2-(2-[2,2,2-trifluoroethyl]guanidino)thiazol-4-ylmethylthio]propionate
CID 20202856
Ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetate
CID 79357619
2-Carbethoxyamino-4-methylthiazole
CID 4162372
methyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 4345486
[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]methyl acetate
CID 13229295
S-[2-(2-amino-1,3-thiazol-4-yl)ethyl] ethanethioate
CID 15475343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate (CID 43409799) is ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1csc(N)n1.
What is the InChIKey of ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
The InChIKey is JVTYDZCKYYGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-2-12-7(11)5-13-3-6-4-14-8(9)10-6/h4H,2-3,5H2,1H3,(H2,9,10).
What are the key properties of ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate?
ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate has a molecular weight of 232.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 43409799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).