ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate

C8H12N2O2S2 — CID 24705602

IUPACethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1sc(N)nc1C
InChIInChI=1S/C8H12N2O2S2/c1-3-12-6(11)4-13-7-5(2)10-8(9)14-7/h3-4H2,1-2H3,(H2,9,10)
InChIKeyPFFMJGJADTZSES-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.69
Rot. Bonds4

About ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate

ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate (PubChem CID 24705602) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
PubChem CID24705602
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Nameethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1sc(N)nc1C
InChIInChI=1S/C8H12N2O2S2/c1-3-12-6(11)4-13-7-5(2)10-8(9)14-7/h3-4H2,1-2H3,(H2,9,10)
InChIKeyPFFMJGJADTZSES-UHFFFAOYSA-N
XLogP1.69
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-((2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl)acetamide
CID 24696382
Methyl 3-(((2-((diaminomethylidene)amino)thiazol-4-yl)methyl)sulfanyl)propanoate
CID 12790764
4-Methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 54962028
4-Methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 61490891
4-Methyl-5-[2-(trifluoromethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 65806075
2-[(2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetic acid
CID 79357057
Ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-2-fluoroacetate
CID 79357619
2-[(2-Amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanoic acid
CID 80996409
Ethyl 2-(((2-aminothiazol-4-yl)methyl)thio)acetate
CID 43409799
3-(2-Amino-thiazol-4-ylmethylsulfanyl)-propionic acid methyl ester
CID 43617626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate (CID 24705602) is ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate is CCOC(=O)CSc1sc(N)nc1C.
What is the InChIKey of ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate?
The InChIKey is PFFMJGJADTZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-3-12-6(11)4-13-7-5(2)10-8(9)14-7/h3-4H2,1-2H3,(H2,9,10).
What are the key properties of ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate?
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate has a molecular weight of 232.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate is sourced from PubChem (CID 24705602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).