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

C6H8N2O2S2 — CID 102770260

IUPACmethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1ncc(N)s1
InChIInChI=1S/C6H8N2O2S2/c1-10-5(9)3-11-6-8-2-4(7)12-6/h2H,3,7H2,1H3
InChIKeyYPQXYDOLWIVRHG-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.99
Rot. Bonds3

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

methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate (PubChem CID 102770260) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
PubChem CID102770260
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Namemethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1ncc(N)s1
InChIInChI=1S/C6H8N2O2S2/c1-10-5(9)3-11-6-8-2-4(7)12-6/h2H,3,7H2,1H3
InChIKeyYPQXYDOLWIVRHG-UHFFFAOYSA-N
XLogP0.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 7784001
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 760825
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
methyl 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 853220
methyl 2-[(4-amino-1,3-benzothiazol-5-yl)sulfanyl]acetate
CID 43617915
1-[(5-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 28819029
methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2589094
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
methyl 2-(6-fluoropyrimidin-4-yl)sulfanylacetate
CID 115417331
5-(2-methoxy-2-oxoethyl)sulfanylpyrazine-2-carboxylic acid
CID 107372609
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate (CID 102770260) is methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate is COC(=O)CSc1ncc(N)s1.
What is the InChIKey of methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The InChIKey is YPQXYDOLWIVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-10-5(9)3-11-6-8-2-4(7)12-6/h2H,3,7H2,1H3.
What are the key properties of methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate has a molecular weight of 204.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 102770260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).