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

C7H10N2O2S2 — CID 79774327

IUPACmethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9)
InChIKeyPFEQHIZYBSNGPF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.13
Rot. Bonds4

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

methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate (PubChem CID 79774327) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
PubChem CID79774327
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
SMILESCOC(=O)CSCc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9)
InChIKeyPFEQHIZYBSNGPF-UHFFFAOYSA-N
XLogP1.13
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate (CID 79774327) is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate is COC(=O)CSCc1cnc(N)s1.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
The InChIKey is PFEQHIZYBSNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-11-6(10)4-12-3-5-2-9-7(8)13-5/h2H,3-4H2,1H3,(H2,8,9).
What are the key properties of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate?
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate has a molecular weight of 218.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate is sourced from PubChem (CID 79774327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).